5-Methylsulfonaminoindole-2-carboxylic acid

C₁₀H₁₀N₂O₄SCAS 150975-95-4254.26 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonamide

Properties

Molecular formula: C₁₀H₁₀N₂O₄S
Molar mass: 254.26 g/mol
Exact mass: 254.0361 Da
logP: 1.24Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

150975-95-4

SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)O

InChIKey

AHXMYKDPQPQFMW-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-2-3-8-6(4-7)5-9(11-8)10(13)14/h2-5,11-12H,1H3,(H,13,14)

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Names and synonyms

1 names

5-Methylsulfonamido-indole-2-carboxylic acid

Work with 5-Methylsulfonaminoindole-2-carboxylic acid

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

5-Methylindole-2-carboxylic acid10241-97-156 % similar Indole-2,5-dicarboxylic acid117140-77-955 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-153 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-252 % similar 5-Amino-1H-indole-2-carboxylic acid152213-40-652 % similar 5-Fluoroindole-2-carboxylic acid399-76-852 % similar 5-Bromo-1H-indole-2-carboxylic acid7254-19-552 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-5 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid89-36-1

Elsewhere

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