2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide

C21H26ClN3O3S — CID 4780387

IUPAC2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C21H26ClN3O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(15-18)21(26)24-14-12-16-7-5-6-13-23-16/h5-7,10-11,13,15,17H,2-4,8-9,12,14H2,1H3,(H,24,26)
InChIKeyQLZQEWOGJCJHGC-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.66
Rot. Bonds7

About 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide

2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 4780387) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID4780387
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C21H26ClN3O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(15-18)21(26)24-14-12-16-7-5-6-13-23-16/h5-7,10-11,13,15,17H,2-4,8-9,12,14H2,1H3,(H,24,26)
InChIKeyQLZQEWOGJCJHGC-UHFFFAOYSA-N
XLogP3.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 4780387) is 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is QLZQEWOGJCJHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-25(17-8-3-2-4-9-17)29(27,28)18-10-11-20(22)19(15-18)21(26)24-14-12-16-7-5-6-13-23-16/h5-7,10-11,13,15,17H,2-4,8-9,12,14H2,1H3,(H,24,26).
What are the key properties of 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 435.98 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 4780387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).