Benzylsulfamide , CAS No.104-22-3

CAS: 104-22-3 Cat. No.: B668715 Molecular Weight: 262.33 PubChem CID: 2755709
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Synonyms
Benzylsulfamide | 4-(benzylamino)benzenesulfonamide | Proseptazine | 46 R.P. | BENZYLSULFANILAMIDE | N4-Benzylsulfanilamide | 46 R.P | AI9WDT80FQ | N(sup 4)-Benzylsulfanilamide | 46-RP | 4-(benzylamino)benzene-1-sulfonamide | 4-Amino-N-(phenylmethyl)benze
Storage
Room temperature
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Size
Status
Price
Qty
1mg
B668715-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
B668715-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Benzylsulfamide | 4-(benzylamino)benzenesulfonamide | Proseptazine | 46 R.P. | BENZYLSULFANILAMIDE | N4-Benzylsulfanilamide | 46 R.P | AI9WDT80FQ | N(sup 4)-Benzylsulfanilamide | 46-RP | 4-(benzylamino)benzene-1-sulfonamide | 4-Amino-N-(phenylmethyl)benze
Storage
Room temperature
Product Properties
ALogP1.7
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N
IUPAC Name4-(benzylamino)benzenesulfonamide
InChIKeyHLIBJQGJVDHCNB-UHFFFAOYSA-N
INCHI1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
Isomeric SMILES C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N
PubChem CID 2755709
Molecular Weight 262.33

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzamines
Alternative Parents Aminobenzenesulfonamides  Benzenesulfonyl compounds  Phenylalkylamines  Benzylamines  Aniline and substituted anilines  Secondary alkylarylamines  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylbenzamine - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Benzylamine - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary amine - Amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA1 Tclin Carbonic anhydrase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA12 Tclin Carbonic anhydrase 12 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight262.330 g/mol
XLogP31.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass262.078 Da
Monoisotopic Mass262.078 Da
Topological Polar Surface Area80.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity336.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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