3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]butanamide

HCID 72045262

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Basic information

CAS: 1375188-74-1
Standard SMILES: CC(CC(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1F
InChIKey: MXYCAMWNOSQUCS-UHFFFAOYSA-N
Molecular formula: C14H16FN3O3S
Average molar mass: 325.36 g/mol
Monoisotopic mass: 325.08964072

Names & identifiers

Preferred name: 3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]butanamide
IUPAC: 3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide

Names & synonyms

1375188-74-13-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]butanamideDTXSID101139978AKOS032997243Z10330084363-(2-Fluorophenyl)-N-(1-methyl-1H-pyrazole-4-sulfonyl)butanamideBenzenepropanamide, 2-fluoro-I(2)-methyl-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-

Database identifiers

CAS: 1375188-74-1
PubChem CID: 72045262
DTXSID: DTXSID101139978

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 89.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 494

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