2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide

C27H22Cl3N3O5S2 — CID 43880667

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

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880667) has the molecular formula C27H22Cl3N3O5S2 and a molecular weight of 638.98 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
• PubChem CID: 43880667
• Molecular Formula: C27H22Cl3N3O5S2
• Molecular Weight: 638.98 g/mol
• Exact Mass: 637.01
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
• SMILES: Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1
• InChI: InChI=1S/C27H22Cl3N3O5S2/c1-18-23(29)8-5-9-25(18)32-39(35,36)21-13-11-20(12-14-21)31-27(34)17-33(26-15-10-19(28)16-24(26)30)40(37,38)22-6-3-2-4-7-22/h2-16,32H,17H2,1H3,(H,31,34)
• InChIKey: HOCKHUOIHXCCDM-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.98
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (CID 43880667) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?

The InChIKey is HOCKHUOIHXCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl3N3O5S2/c1-18-23(29)8-5-9-25(18)32-39(35,36)21-13-11-20(12-14-21)31-27(34)17-33(26-15-10-19(28)16-24(26)30)40(37,38)22-6-3-2-4-7-22/h2-16,32H,17H2,1H3,(H,31,34).

What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 638.98 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).