1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide

C21H24ClN3O4S — CID 42924913

IUPAC1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)17-10-11-19(22)18(13-17)21(27)25-12-6-7-15(14-25)20(26)23-16-8-4-3-5-9-16/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,23,26)
InChIKeyOXRIVWWXLCGIAI-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide

1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42924913) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42924913
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)17-10-11-19(22)18(13-17)21(27)25-12-6-7-15(14-25)20(26)23-16-8-4-3-5-9-16/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,23,26)
InChIKeyOXRIVWWXLCGIAI-UHFFFAOYSA-N
XLogP3.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 27745975
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide (CID 42924913) is 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is OXRIVWWXLCGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)17-10-11-19(22)18(13-17)21(27)25-12-6-7-15(14-25)20(26)23-16-8-4-3-5-9-16/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,23,26).
What are the key properties of 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42924913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).