1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide

C13H17ClN2O4S — CID 27745097

IUPAC1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
SMILESCONC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O4S/c1-20-15-13(17)10-6-8-16(9-7-10)21(18,19)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyUJVNHQXHBHZHMG-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.42
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide (PubChem CID 27745097) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
PubChem CID27745097
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
SMILESCONC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O4S/c1-20-15-13(17)10-6-8-16(9-7-10)21(18,19)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyUJVNHQXHBHZHMG-UHFFFAOYSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1326683
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(4-chlorophenyl)sulfonyl-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 8919099

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide (CID 27745097) is 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide is CONC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide?
The InChIKey is UJVNHQXHBHZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-15-13(17)10-6-8-16(9-7-10)21(18,19)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 27745097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).