1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide

C19H19N3O3S — CID 18077712

IUPAC1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3S/c20-14-15-9-11-16(12-10-15)21-19(23)18-8-4-5-13-22(18)26(24,25)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,21,23)
InChIKeyZPCKOEGSMHHHEK-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.74
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide (PubChem CID 18077712) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
PubChem CID18077712
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3S/c20-14-15-9-11-16(12-10-15)21-19(23)18-8-4-5-13-22(18)26(24,25)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,21,23)
InChIKeyZPCKOEGSMHHHEK-UHFFFAOYSA-N
XLogP2.74
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 55505334
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide (CID 18077712) is 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide is N#Cc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide?
The InChIKey is ZPCKOEGSMHHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-14-15-9-11-16(12-10-15)21-19(23)18-8-4-5-13-22(18)26(24,25)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 18077712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).