1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

C12H15FN2O3S — CID 17403722

IUPAC1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-8-2-1-3-11(15)12(14)16/h4-7,11H,1-3,8H2,(H2,14,16)
InChIKeyMMODXRRMRQGNIH-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.85
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 17403722) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID17403722
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-8-2-1-3-11(15)12(14)16/h4-7,11H,1-3,8H2,(H2,14,16)
InChIKeyMMODXRRMRQGNIH-UHFFFAOYSA-N
XLogP0.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2813201
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
2-[Ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 1258981
Cambridge id 6458207
CID 2284358
[1-(Benzenesulfonyl)piperidin-2-yl]-piperidin-1-ylmethanone
CID 5103142
N-cyclopentyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6465065
N-(butan-2-yl)-1-[(4-fluorophenyl)sulfonyl]piperidine-2-carboxamide
CID 6619154

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (CID 17403722) is 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is MMODXRRMRQGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-8-2-1-3-11(15)12(14)16/h4-7,11H,1-3,8H2,(H2,14,16).
What are the key properties of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 17403722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).