chempirical

Benzenesulfonamide

C6H7NO2SCAS 98-10-2157.19 g/mol

Open in Covalent MOL file
H2NSOO
Sulfonamide

Properties

Molecular formula
C6H7NO2S
Molar mass
157.19 g/mol
Exact mass
157.0197 Da
Melting point
151 °C
logP
0.33Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 167 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
98-10-2
SMILES
NS(=O)(=O)c1ccccc1
InChIKey
KHBQMWCZKVMBLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenesulphonamide
  • M And B 7973
  • Phenylsulfonamide
  • NSC 5341
  • NSC 85506
  • Benzenesulfonyl amine

Work with Benzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sulfanilamide63-74-158 % similar 4-Hydroxybenzenesulfonamide1576-43-856 % similar 4-Fluorobenzenesulfonamide402-46-056 % similar P-Toluenesulfonamide70-55-356 % similar 4-Bromobenzenesulfonamide701-34-856 % similar 4-Chlorobenzenesulfonamide98-64-656 % similar 3-Fluorobenzenesulfonamide1524-40-956 % similar Naphthalene-2-sulfonamide1576-47-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 (S)-2-Thienylglycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4

Elsewhere

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