N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O3S — CID 2600862

IUPACN-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-10-15(19(23)21-17-8-4-3-7-16(17)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyWGZHAWNJBUSXGK-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds4

About N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2600862) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2600862
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c1-14-9-10-15(19(23)21-17-8-4-3-7-16(17)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyWGZHAWNJBUSXGK-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
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
4-methyl-N-phenyl-3-(phenylsulfamoyl)benzamide
CID 1246311
3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 1250097
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2600862) is N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WGZHAWNJBUSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-9-10-15(19(23)21-17-8-4-3-7-16(17)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(2-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-(2-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2600862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).