N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C17H23FN2O3S — CID 3158857

IUPACN-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3S/c18-14-7-9-16(10-8-14)24(22,23)20-11-3-4-13(12-20)17(21)19-15-5-1-2-6-15/h7-10,13,15H,1-6,11-12H2,(H,19,21)
InChIKeyIYOGYSWHPBUXBJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds4

About N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3158857) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3158857
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3S/c18-14-7-9-16(10-8-14)24(22,23)20-11-3-4-13(12-20)17(21)19-15-5-1-2-6-15/h7-10,13,15H,1-6,11-12H2,(H,19,21)
InChIKeyIYOGYSWHPBUXBJ-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
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
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417
Oxphos-IN-1
CID 162365284
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N-propan-2-ylbenzenesulfonamide
CID 162365510
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 3158857) is N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is IYOGYSWHPBUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-14-7-9-16(10-8-14)24(22,23)20-11-3-4-13(12-20)17(21)19-15-5-1-2-6-15/h7-10,13,15H,1-6,11-12H2,(H,19,21).
What are the key properties of N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3158857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).