2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

C29H28ClN3O5S2 — CID 43881628

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1C
InChIInChI=1S/C29H28ClN3O5S2/c1-20-9-11-24(17-22(20)3)32-39(35,36)26-15-12-23(13-16-26)31-29(34)19-33(25-14-10-21(2)28(30)18-25)40(37,38)27-7-5-4-6-8-27/h4-18,32H,19H2,1-3H3,(H,31,34)
InChIKeyAUEJOTXZKNYTNG-UHFFFAOYSA-N
MW598.15 g/mol
LogP5.90
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881628) has the molecular formula C29H28ClN3O5S2 and a molecular weight of 598.15 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881628
Molecular FormulaC29H28ClN3O5S2
Molecular Weight598.15 g/mol
Exact Mass597.12
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1C
InChIInChI=1S/C29H28ClN3O5S2/c1-20-9-11-24(17-22(20)3)32-39(35,36)26-15-12-23(13-16-26)31-29(34)19-33(25-14-10-21(2)28(30)18-25)40(37,38)27-7-5-4-6-8-27/h4-18,32H,19H2,1-3H3,(H,31,34)
InChIKeyAUEJOTXZKNYTNG-UHFFFAOYSA-N
XLogP5.90
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.15
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide 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-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879887
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882365
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1337068
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882327
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880830
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880892
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880616
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43881820

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 43881628) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is AUEJOTXZKNYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O5S2/c1-20-9-11-24(17-22(20)3)32-39(35,36)26-15-12-23(13-16-26)31-29(34)19-33(25-14-10-21(2)28(30)18-25)40(37,38)27-7-5-4-6-8-27/h4-18,32H,19H2,1-3H3,(H,31,34).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 598.15 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).