1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C21H25ClN2O4S — CID 27824459

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-23(15-17-5-3-4-6-20(17)28-2)21(25)16-11-13-24(14-12-16)29(26,27)19-9-7-18(22)8-10-19/h3-10,16H,11-15H2,1-2H3
InChIKeyXTNXEHWBJFRRCC-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 27824459) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID27824459
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O4S/c1-23(15-17-5-3-4-6-20(17)28-2)21(25)16-11-13-24(14-12-16)29(26,27)19-9-7-18(22)8-10-19/h3-10,16H,11-15H2,1-2H3
InChIKeyXTNXEHWBJFRRCC-UHFFFAOYSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31288395
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26594501
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43875611
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 27824459) is 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XTNXEHWBJFRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-23(15-17-5-3-4-6-20(17)28-2)21(25)16-11-13-24(14-12-16)29(26,27)19-9-7-18(22)8-10-19/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 27824459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).