1H-Indole-1-acetic acid, 7-chloro-3-[(4-chlorophenyl)sulfonyl]-2-methyl-

HCID 10000899

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Basic information

CAS: 646514-42-3
Standard SMILES: Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1CC(=O)O
InChIKey: YPACSVJVZANLPR-UHFFFAOYSA-N
Molecular formula: C17H13Cl2NO4S
Average molar mass: 398.3 g/mol
Monoisotopic mass: 396.9942345

Names & identifiers

Preferred name: 1H-Indole-1-acetic acid, 7-chloro-3-[(4-chlorophenyl)sulfonyl]-2-methyl-
IUPAC: 2-[7-chloro-3-(4-chlorophenyl)sulfonyl-2-methylindol-1-yl]acetic acid

Names & synonyms

1H-Indole-1-acetic acid, 7-chloro-3-[(4-chlorophenyl)sulfonyl]-2-methyl-646514-42-3SCHEMBL1386057DTXSID10433986YPACSVJVZANLPR-UHFFFAOYSA-N7-chloro-3-[(4-chlorophenyl)sulfonyl]-2-methyl-1H-indole-1-acetic acid[7-Chloro-3-(4-chlorobenzene-1-sulfonyl)-2-methyl-1H-indol-1-yl]acetic acid

Database identifiers

CAS: 646514-42-3
PubChem CID: 10000899
DTXSID: DTXSID10433986

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 84.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 600

Related reactions

1 records

New reaction record

HRID 2240550As productuspto-grants-2010_05

Compound notes

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