3-Aminobenzenesulfonamide

C6H8N2O2SCAS 98-18-0172.20 g/mol

Open in Covalent MOL file
H2NSNH2OO
Primary amineSulfonamide

Properties

Molecular formula
C6H8N2O2S
Molar mass
172.20 g/mol
Exact mass
172.0306 Da
Melting point
139–141 °C
logP
-0.08Crippen estimate
Polar surface area
86.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
98-18-0
SMILES
Nc1cccc(S(N)(=O)=O)c1
InChIKey
JPVKCHIPRSQDKL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonamide, 3-amino-
  • Metanilamide
  • m-Aminobenzenesulfonamide
  • 3-Aminosulfonylaniline
  • m-Sulfamoylaniline
  • NSC 7542
  • 3-Sulfamoylaniline
  • 3-Sulfamoylphenylamine
  • 3-Aminobenzene-1-sulfonamide

Work with 3-Aminobenzenesulfonamide

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

3,3'-Sulphonyldianiline599-61-164 % similar 3-Bromobenzene-1-sulfonamide89599-01-963 % similar 3-Fluorobenzenesulfonamide1524-40-960 % similar 3-Chlorobenzenesulfonamide17260-71-860 % similar Metanilic acid121-47-158 % similar 3-(Methylsulphonyl)aniline35216-39-858 % similar Sulfanilamide63-74-157 % similar Benzenesulfonamide98-10-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-4-Thiazolylalanine119433-80-6 D-4-Thiazolylalanine131896-42-9 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one175205-07-9 Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-9 Ethyl 2-aminothiazole-5-carboxylate32955-21-8 2-Aminobenzenesulfonamide3306-62-5 Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-9 Ethyl 2-aminothiazole-4-carboxylate5398-36-7

Elsewhere

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