N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O3S — CID 1216383

IUPACN-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyOZGMDLMBOCCJJC-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1216383) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1216383
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyOZGMDLMBOCCJJC-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
N-(4-chlorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 1019053
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2085005
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 1216383) is N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OZGMDLMBOCCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).