N-(2,3-Dimethylphenyl)-2-methoxy-5-(1-piperidinylsulfonyl)benzamide

HCID 19257975

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Basic information

CAS: 941521-07-9
Standard SMILES: COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(C)c1C
InChIKey: WFBKUOLJUOTIHF-UHFFFAOYSA-N
Molecular formula: C21H26N2O4S
Average molar mass: 402.5 g/mol
Monoisotopic mass: 402.16132849

Names & identifiers

Preferred name: N-(2,3-Dimethylphenyl)-2-methoxy-5-(1-piperidinylsulfonyl)benzamide
IUPAC: N-(2,3-dimethylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide

Names & synonyms

DTXSID101163147N-(2,3-Dimethylphenyl)-2-methoxy-5-(1-piperidinylsulfonyl)benzamideAKOS003094510941521-07-9N-(2,3-DIMETHYLPHENYL)-2-METHOXY-5-(PIPERIDINE-1-SULFONYL)BENZAMIDE

Database identifiers

CAS: 941521-07-9
PubChem CID: 19257975
DTXSID: DTXSID101163147

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 84.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 627

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