2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

C19H23ClN2O3S — CID 7959591

IUPAC2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)16-10-11-18(20)17(12-16)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyMYKGYQBENHMSOR-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.94
Rot. Bonds7

About 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide (PubChem CID 7959591) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
PubChem CID7959591
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)16-10-11-18(20)17(12-16)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyMYKGYQBENHMSOR-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)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-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide (CID 7959591) is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The InChIKey is MYKGYQBENHMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)16-10-11-18(20)17(12-16)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 7959591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).