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

C18H19ClN2O3S — CID 4001201

IUPAC1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c19-14-9-11-15(12-10-14)20-18(22)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22)
InChIKeyOOZNKZHPVOVBLI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.52
Rot. Bonds4

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

1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide (PubChem CID 4001201) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
PubChem CID4001201
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c19-14-9-11-15(12-10-14)20-18(22)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22)
InChIKeyOOZNKZHPVOVBLI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide (CID 4001201) is 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide?
The InChIKey is OOZNKZHPVOVBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-14-9-11-15(12-10-14)20-18(22)17-8-4-5-13-21(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.52, 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-2-carboxamide is sourced from PubChem (CID 4001201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).