3-Chloro-5-methylbenzo[B]thiophene-2-sulfonamide

C₉H₈ClNO₂S₂CAS 175203-94-8261.74 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₉H₈ClNO₂S₂
Molar mass: 261.74 g/mol
Exact mass: 260.9685 Da
logP: 2.51Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

175203-94-8

SMILES

Cc1ccc2sc(S(N)(=O)=O)c(Cl)c2c1

InChIKey

QLPNFHLKDWPUQW-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClNO2S2/c1-5-2-3-7-6(4-5)8(10)9(14-7)15(11,12)13/h2-4H,1H3,(H2,11,12,13)

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Names and synonyms

1 names

Benzo[b]thiophene-2-sulfonamide, 3-chloro-5-methyl-

Work with 3-Chloro-5-methylbenzo[B]thiophene-2-sulfonamide

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

2,8-Dimethyldibenzothiophene1207-15-447 % similar P-Toluenesulfonamide70-55-341 % similar 5-Chloro-3-methylbenzo[B]thiophene-2-sulfonyl chloride166964-33-639 % similar 3-Acetyl-5-chloro-2-thiophenesulfonamide160982-10-537 % similar 5-Chloro-2-thiophenesulfonamide53595-66-735 % similar Toluenesulfonamide1333-07-933 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-933 % similar Bm 96010272811-73-533 % similar

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

Elsewhere

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