3-Aminobenzenesulfonamide - ≥98%(HPLC)(T) , CAS No.98-18-0

CAS: 98-18-0 Cat. No.: A151617 Molecular Weight: 172.2 Beilstein Registry Number: 14(4)2648 EC Number: 202-646-0

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

m-Aminobenzenesulfonamide | m-Aminobenzenesulphonamide | Metaniilamide | m-Sulfamoylaniline | 3-Aminobenzene-1-Sulfonamide | Metanilamide | Benzenesulfonamide | SulfonamideBenzenesulfonamide

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

m-Aminobenzenesulfonamide | m-Aminobenzenesulphonamide | Metaniilamide | m-Sulfamoylaniline | 3-Aminobenzene-1-Sulfonamide | Metanilamide | Benzenesulfonamide | SulfonamideBenzenesulfonamide

Specifications & Purity

≥98%(HPLC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488180403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180403
• Canonical Smiles: C1=CC(=CC(=C1)S(=O)(=O)N)N
• IUPAC Name: 3-aminobenzenesulfonamide
• InChIKey: JPVKCHIPRSQDKL-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
• Isomeric SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)N
• WGK Germany: 3
• RTECS: OY2200000
• Molecular Weight: 172.2
• Beilstein: 14(4)2648
• Reaxy-Rn: 511851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase 2 (25 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (3 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

Discover Target: CA14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ca1 Delta carbonic anhydrase (40 Activities)

Discover Target: ca1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 8 g/l 25 °C; Soluble in Acetone,Ethanol; Insoluble in Ether,Chloroform,Benzene
• Melt Point(°C): 139-144 °C
• Molecular Weight: 172.210 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.031 Da
• Monoisotopic Mass: 172.031 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xia Zhan, Rui Ge, Teng Huo, Juan Lu, Jiding Li.  (2023)  Highly permeable PA@GO loose nanofiltration membranes enabled by hierarchical transport channels for efficient dye removal.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146831]

2. Yang Cao, Yinhua Wan, Chulong Chen, Jianquan Luo.  (2023)  Catalyst-anchored secondary polymerization for highly permeable acid-resistant nanofiltration membrane preparation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.121991]

3. Yang Cao, Jianquan Luo, Chulong Chen, Yinhua Wan.  (2021)  Highly permeable acid-resistant nanofiltration membrane based on a novel sulfonamide aqueous monomer for efficient acidic wastewater treatment.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131791]

4. Yuqian Yang, Tiansheng Gao, Wenzhong Ma, Haicun Yang, Qiuyan Bi, Jing Zhong, Hideto Matsuyama.  (2025)  A New Strategy for Tunable Pore Size Polyamide Nanofiltration Membranes during the Interfacial Polymerization by the Dynamic Hydrophilic Site Resistance Balance of 3-Aminobenzenesulfonamide in the Aqueous Phase.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.5c00737]

5. Fei Han, Chunyang Yin, Lulu Liu, Hao Niu, Jianquan Luo, Yinhua Wan, Weijie Song, Wei Liu.  (2025)  Construction of highly cross linked defect free acid resistant nanofiltration membrane via span 80 accelerated monomer diffusion.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136293]