N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C17H18FN3O3S — CID 20855555

IUPACN-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C17H18FN3O3S/c18-14-5-1-6-15(10-14)20-17(22)13-4-3-9-21(12-13)25(23,24)16-7-2-8-19-11-16/h1-2,5-8,10-11,13H,3-4,9,12H2,(H,20,22)
InChIKeyYXXBVNASFKWZDZ-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.26
Rot. Bonds4

About N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20855555) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID20855555
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C17H18FN3O3S/c18-14-5-1-6-15(10-14)20-17(22)13-4-3-9-21(12-13)25(23,24)16-7-2-8-19-11-16/h1-2,5-8,10-11,13H,3-4,9,12H2,(H,20,22)
InChIKeyYXXBVNASFKWZDZ-UHFFFAOYSA-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

(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 124580113
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 20855555) is N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is YXXBVNASFKWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-14-5-1-6-15(10-14)20-17(22)13-4-3-9-21(12-13)25(23,24)16-7-2-8-19-11-16/h1-2,5-8,10-11,13H,3-4,9,12H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-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 N-(3-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20855555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).