N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C14H19ClN2O4S — CID 2986838

IUPACN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(8-12(13)15)16-14(18)10-4-3-7-17(9-10)22(2,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyOVSJDMIAQITXCL-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.96
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2986838) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2986838
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(8-12(13)15)16-14(18)10-4-3-7-17(9-10)22(2,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyOVSJDMIAQITXCL-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 894133
N-(3-Chloro-4-methoxyphenyl)-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CID 2972538
2-[6-(4-chlorobenzyl)-1,1-dioxido-1,2,6-thiadiazinan-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 15988183
N-(3-chloro-4-methoxyphenyl)-1-(2-chlorophenyl)piperidine-4-carboxamide
CID 155551100
N-(5-chloro-2-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893548
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 999470
Methyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2460757
3-[(4-acetamidophenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2595073
N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 15989750
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021982
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1082595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2986838) is N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is OVSJDMIAQITXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-13-6-5-11(8-12(13)15)16-14(18)10-4-3-7-17(9-10)22(2,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2986838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).