N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C15H22ClN3O4S — CID 43876123

IUPACN-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-18(2)24(21,22)19-8-4-5-11(10-19)15(20)17-12-6-7-14(23-3)13(16)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyXDXVHJSXJVGZSC-UHFFFAOYSA-N
MW375.88 g/mol
LogP1.81
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 43876123) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID43876123
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-18(2)24(21,22)19-8-4-5-11(10-19)15(20)17-12-6-7-14(23-3)13(16)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyXDXVHJSXJVGZSC-UHFFFAOYSA-N
XLogP1.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126398535
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302602
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 95877726
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 43876123) is N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is XDXVHJSXJVGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-18(2)24(21,22)19-8-4-5-11(10-19)15(20)17-12-6-7-14(23-3)13(16)9-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 1.81, 5 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-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43876123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).