2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

C24H22ClN3O3S — CID 2372626

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-28(18-7-3-2-4-8-18)32(30,31)19-11-12-22(25)21(15-19)24(29)26-14-13-17-16-27-23-10-6-5-9-20(17)23/h2-12,15-16,27H,13-14H2,1H3,(H,26,29)
InChIKeyJXYMHBSIZIPDRH-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.62
Rot. Bonds7

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2372626) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2372626
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H22ClN3O3S/c1-28(18-7-3-2-4-8-18)32(30,31)19-11-12-22(25)21(15-19)24(29)26-14-13-17-16-27-23-10-6-5-9-20(17)23/h2-12,15-16,27H,13-14H2,1H3,(H,26,29)
InChIKeyJXYMHBSIZIPDRH-UHFFFAOYSA-N
XLogP4.62
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]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-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (CID 2372626) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JXYMHBSIZIPDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-28(18-7-3-2-4-8-18)32(30,31)19-11-12-22(25)21(15-19)24(29)26-14-13-17-16-27-23-10-6-5-9-20(17)23/h2-12,15-16,27H,13-14H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 467.98 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2372626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).