1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C13H17ClN2O3S — CID 47140984

IUPAC1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3S/c1-15-13(17)10-3-2-8-16(9-10)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyBAARKNWNZYYLMM-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.49
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 47140984) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID47140984
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3S/c1-15-13(17)10-3-2-8-16(9-10)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyBAARKNWNZYYLMM-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
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
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 47140984) is 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is BAARKNWNZYYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-15-13(17)10-3-2-8-16(9-10)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47140984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).