1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide

C18H19ClN2O3S — CID 16862471

IUPAC1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O3S/c19-15-8-10-16(11-9-15)20-18(22)14-5-4-12-21(13-14)25(23,24)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,20,22)
InChIKeyPQLKFLUJRYMWFE-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.38
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide (PubChem CID 16862471) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
PubChem CID16862471
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O3S/c19-15-8-10-16(11-9-15)20-18(22)14-5-4-12-21(13-14)25(23,24)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,20,22)
InChIKeyPQLKFLUJRYMWFE-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 28550024

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide (CID 16862471) is 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is PQLKFLUJRYMWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-8-10-16(11-9-15)20-18(22)14-5-4-12-21(13-14)25(23,24)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 16862471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).