2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C19H27ClN2O3S — CID 28591311

IUPAC2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H27ClN2O3S/c1-14-9-11-22(12-10-14)26(24,25)16-7-8-18(20)17(13-16)19(23)21-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,21,23)
InChIKeyPRTAZWFRZFSBRV-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 28591311) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID28591311
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H27ClN2O3S/c1-14-9-11-22(12-10-14)26(24,25)16-7-8-18(20)17(13-16)19(23)21-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,21,23)
InChIKeyPRTAZWFRZFSBRV-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 28591311) is 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is PRTAZWFRZFSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-14-9-11-22(12-10-14)26(24,25)16-7-8-18(20)17(13-16)19(23)21-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 398.96 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 28591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).