(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C21H24ClN3O4S — CID 92671735

IUPAC(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)25-12-6-9-16(14-25)21(27)23-19-11-10-17(22)13-18(19)20(26)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyFNENCEOBJPBNLH-MRXNPFEDSA-N
MW449.96 g/mol
LogP3.03
Rot. Bonds6

About (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 92671735) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID92671735
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)25-12-6-9-16(14-25)21(27)23-19-11-10-17(22)13-18(19)20(26)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyFNENCEOBJPBNLH-MRXNPFEDSA-N
XLogP3.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 92689558
N-(2-benzoyl-4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863407
(3S)-N-(2-benzoyl-4-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98050950
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935002
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863410
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 92671735) is (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is FNENCEOBJPBNLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)25-12-6-9-16(14-25)21(27)23-19-11-10-17(22)13-18(19)20(26)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 92671735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).