2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

C27H23Cl2N3O5S2 — CID 43881556

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-19-17-21(29)9-16-26(19)32(39(36,37)25-5-3-2-4-6-25)18-27(33)30-22-12-14-24(15-13-22)38(34,35)31-23-10-7-20(28)8-11-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyPTHGOPSDNQZZGJ-UHFFFAOYSA-N
MW604.54 g/mol
LogP5.94
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881556) has the molecular formula C27H23Cl2N3O5S2 and a molecular weight of 604.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881556
Molecular FormulaC27H23Cl2N3O5S2
Molecular Weight604.54 g/mol
Exact Mass603.05
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-19-17-21(29)9-16-26(19)32(39(36,37)25-5-3-2-4-6-25)18-27(33)30-22-12-14-24(15-13-22)38(34,35)31-23-10-7-20(28)8-11-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyPTHGOPSDNQZZGJ-UHFFFAOYSA-N
XLogP5.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)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)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126416913
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880667
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (CID 43881556) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PTHGOPSDNQZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O5S2/c1-19-17-21(29)9-16-26(19)32(39(36,37)25-5-3-2-4-6-25)18-27(33)30-22-12-14-24(15-13-22)38(34,35)31-23-10-7-20(28)8-11-23/h2-17,31H,18H2,1H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 604.54 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).