4-(N-Naphthalen-1-ylsulfamoyl)phenylboronic acid - ≥96% , CAS No.957120-95-5

CAS: 957120-95-5 Cat. No.: N188842 Molecular Weight: 327.2 PubChem CID: 44118792

GRADE & PURITY ≥96%

Synonyms

(4-(N-(Naphthalen-1-yl)sulfamoyl)phenyl)boronic acid | (4-(N-(Naphthalen-1-yl)sulfamoyl)-phenyl)boronic acid | F77183 | BS-22535 | (4-(N-(Naphthalen-1-yl)sulfamoyl)phenyl)boronicacid | 4-(N-Naphth-1-ylsulphamoyl)benzeneboronic acid | AKOS015840609 | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(4-(N-(Naphthalen-1-yl)sulfamoyl)phenyl)boronic acid | (4-(N-(Naphthalen-1-yl)sulfamoyl)-phenyl)boronic acid | F77183 | BS-22535 | (4-(N-(Naphthalen-1-yl)sulfamoyl)phenyl)boronicacid | 4-(N-Naphth-1-ylsulphamoyl)benzeneboronic acid | AKOS015840609 | MFCD0

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: B(C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32)(O)O
• IUPAC Name: [4-(naphthalen-1-ylsulfamoyl)phenyl]boronic acid
• InChIKey: UOKSWRGMRNZXCO-UHFFFAOYSA-N
• INCHI: 1S/C16H14BNO4S/c19-17(20)13-8-10-14(11-9-13)23(21,22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18-20H
• Isomeric SMILES: B(C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32)(O)O
• PubChem CID: 44118792
• Molecular Weight: 327.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenesulfonamide - Naphthalene - Sulfanilide - Benzenesulfonyl group - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Chemical and Physical Properties

• Molecular Weight: 327.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 327.074 Da
• Monoisotopic Mass: 327.074 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 485.000
• 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

XLogP3