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

C14H19ClN2O4S — CID 894133

IUPACN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(9-12(13)15)16-14(18)10-5-7-17(8-6-10)22(2,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyISSCPDOAAQGXHG-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.96
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 894133) 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-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID894133
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(9-12(13)15)16-14(18)10-5-7-17(8-6-10)22(2,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyISSCPDOAAQGXHG-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-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
(3R,4R)-N3-(3-chloro-4-methoxyphenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide
CID 11295984
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 974717
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 1208558
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2193164
Ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 2467455
N-(4-ethoxyphenyl)-1-(ethylsulfonyl)-4-piperidinecarboxamide
CID 2953626
N~1~-(3-chloro-4-methoxyphenyl)-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
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-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2986838

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 894133) is N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ISSCPDOAAQGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(9-12(13)15)16-14(18)10-5-7-17(8-6-10)22(2,19)20/h3-4,9-10H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 894133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).