N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide

HCID 5212486

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Basic information

CAS: 6198-08-9
Standard SMILES: COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)C(C)C2)ccc1F
InChIKey: FIHFGEQSOBKFJB-UHFFFAOYSA-N
Molecular formula: C26H27ClFN3O4S
Average molar mass: 532 g/mol
Monoisotopic mass: 531.1394834

Names & identifiers

Preferred name: N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
IUPAC: N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide

Names & synonyms

6198-08-9N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide451499-32-4N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}benzamideF0917-2716Oprea1_126513DTXSID70410359AKOS024602149EU-0096574SR-01000580622SR-01000580622-1N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-((3-methyl-4-(m-tolyl)piperazin-1-yl)sulfonyl)benzamide

Show more names

N-(5-Chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]benzamide

Database identifiers

CAS: 6198-08-9
PubChem CID: 5212486
DTXSID: DTXSID70410359

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 36
Formal charge: 0
Complexity: 859

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