2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide

C22H20ClN3O4S — CID 17455691

IUPAC2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN3O4S/c1-26(17-9-3-2-4-10-17)31(29,30)18-11-7-8-16(14-18)25-21(27)15-24-22(28)19-12-5-6-13-20(19)23/h2-14H,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXKMHWHNLHCMZLS-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.53
Rot. Bonds7

About 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide

2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide (PubChem CID 17455691) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
PubChem CID17455691
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H20ClN3O4S/c1-26(17-9-3-2-4-10-17)31(29,30)18-11-7-8-16(14-18)25-21(27)15-24-22(28)19-12-5-6-13-20(19)23/h2-14H,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXKMHWHNLHCMZLS-UHFFFAOYSA-N
XLogP3.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide 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

2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
CID 17392586
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8918828
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide (CID 17455691) is 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is XKMHWHNLHCMZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-26(17-9-3-2-4-10-17)31(29,30)18-11-7-8-16(14-18)25-21(27)15-24-22(28)19-12-5-6-13-20(19)23/h2-14H,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17455691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).