Butanoic acid, 4-[[(4-chlorophenyl)sulfonyl]amino]-, methyl ester

HCID 8401751

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Basic information

CAS: 918330-62-8
Standard SMILES: COC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIKey: KPEXXLDEABIFJU-UHFFFAOYSA-N
Molecular formula: C11H14ClNO4S
Average molar mass: 291.75 g/mol
Monoisotopic mass: 291.0332068

Names & identifiers

Preferred name: Butanoic acid, 4-[[(4-chlorophenyl)sulfonyl]amino]-, methyl ester
IUPAC: methyl 4-[(4-chlorophenyl)sulfonylamino]butanoate

Names & synonyms

918330-62-8Butanoic acid, 4-[[(4-chlorophenyl)sulfonyl]amino]-, methyl estermethyl 4-[(4-chlorophenyl)sulfonylamino]butanoateDTXSID30429149STL427196AKOS025261257Methyl 4-(4-chlorobenzene-1-sulfonamido)butanoatemethyl 4-{[(4-chlorophenyl)sulfonyl]amino}butanoate

Database identifiers

CAS: 918330-62-8
PubChem CID: 8401751
DTXSID: DTXSID30429149

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 80.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 358

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