4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide

C21H20ClN3O5S2 — CID 1264396

IUPAC4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1)S(C)(=O)=O
InChIInChI=1S/C21H20ClN3O5S2/c1-25(31(2,27)28)18-10-6-9-17(14-18)23-21(26)15-11-12-19(22)20(13-15)32(29,30)24-16-7-4-3-5-8-16/h3-14,24H,1-2H3,(H,23,26)
InChIKeyYSBLGAZXMRHMRC-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.79
Rot. Bonds7

About 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 1264396) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
PubChem CID1264396
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
SMILESCN(c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1)S(C)(=O)=O
InChIInChI=1S/C21H20ClN3O5S2/c1-25(31(2,27)28)18-10-6-9-17(14-18)23-21(26)15-11-12-19(22)20(13-15)32(29,30)24-16-7-4-3-5-8-16/h3-14,24H,1-2H3,(H,23,26)
InChIKeyYSBLGAZXMRHMRC-UHFFFAOYSA-N
XLogP3.79
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)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

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 2980254
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide (CID 1264396) is 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide is CN(c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is YSBLGAZXMRHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c1-25(31(2,27)28)18-10-6-9-17(14-18)23-21(26)15-11-12-19(22)20(13-15)32(29,30)24-16-7-4-3-5-8-16/h3-14,24H,1-2H3,(H,23,26).
What are the key properties of 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 493.99 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1264396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).