N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C14H19ClN2O4S — CID 893548

IUPACN-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(15)9-12(13)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)
InChIKeyXIHDOCWIOSINJH-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.96
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 893548) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID893548
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(15)9-12(13)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)
InChIKeyXIHDOCWIOSINJH-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-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(2-ethoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991696
N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822420
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544
N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893996
N-(3-chloro-4-methoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 894133
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 999494
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1148718
Cambridge id 6746060
CID 2912764

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 893548) is N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is XIHDOCWIOSINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-13-4-3-11(15)9-12(13)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-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 893548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).