4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide

C₇H₇ClN₆O₂SCAS 82212-14-4274.68 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfonamide

Properties

Molecular formula: C₇H₇ClN₆O₂S
Molar mass: 274.68 g/mol
Exact mass: 274.0040 Da
logP: -0.25Crippen estimate
Polar surface area: 140.6 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2

Identifiers

CAS number

82212-14-4

SMILES

Nc1cc(Cl)c(S(N)(=O)=O)cc1-c1nn[nH]n1

InChIKey

OKHJHVJXPHYALI-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonamide, 4-amino-2-chloro-5-(2H-tetrazol-5-yl)-
Benzenesulfonamide, 4-amino-2-chloro-5-(1H-tetrazol-5-yl)-
4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
2-Chloro-5-(1H-tetrazol-5-yl)sulphanilamide

Work with 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)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

Azosemide27589-33-955 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-255 % similar 4-Amino-2-chloro-5-hydroxybenzenesulfonamide41606-65-950 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-643 % similar 2-Chlorobenzenesulfonamide6961-82-638 % similar 4-Amino-2,5-dichlorobenzenesulfonic acid88-50-638 % similar 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-437 % similar 8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran110683-22-236 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook