(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide

C17H18FN3O3S — CID 41008719

IUPAC(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-11-1-2-13(12-21)17(22)20-15-7-9-19-10-8-15/h3-10,13H,1-2,11-12H2,(H,19,20,22)/t13-/m0/s1
InChIKeyYLWHKSUOFPXILQ-ZDUSSCGKSA-N
MW363.41 g/mol
LogP2.26
Rot. Bonds4

About (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 41008719) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID41008719
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-11-1-2-13(12-21)17(22)20-15-7-9-19-10-8-15/h3-10,13H,1-2,11-12H2,(H,19,20,22)/t13-/m0/s1
InChIKeyYLWHKSUOFPXILQ-ZDUSSCGKSA-N
XLogP2.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]piperidine-3-carboxamide
CID 41026711
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
1-(4-fluorophenyl)sulfonyl-N-(4-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 55531467
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3938384
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide (CID 41008719) is (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide is O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is YLWHKSUOFPXILQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-11-1-2-13(12-21)17(22)20-15-7-9-19-10-8-15/h3-10,13H,1-2,11-12H2,(H,19,20,22)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 41008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).