1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide

C16H22FN3O3S — CID 119450805

IUPAC1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCNC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-9-6-12(7-10-20)16(21)19-13-5-8-18-11-13/h1-4,12-13,18H,5-11H2,(H,19,21)
InChIKeyQCSMIIPRKRXNRS-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide (PubChem CID 119450805) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
PubChem CID119450805
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCNC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-9-6-12(7-10-20)16(21)19-13-5-8-18-11-13/h1-4,12-13,18H,5-11H2,(H,19,21)
InChIKeyQCSMIIPRKRXNRS-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24674052
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
1-(4-propan-2-ylphenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119450125
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55690179

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide (CID 119450805) is 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide is O=C(NC1CCNC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The InChIKey is QCSMIIPRKRXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-9-6-12(7-10-20)16(21)19-13-5-8-18-11-13/h1-4,12-13,18H,5-11H2,(H,19,21).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 119450805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).