2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

C28H26ClN3O5S2 — CID 43881631

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C28H26ClN3O5S2/c1-20-8-15-25(18-21(20)2)32(39(36,37)27-6-4-3-5-7-27)19-28(33)30-23-13-16-26(17-14-23)38(34,35)31-24-11-9-22(29)10-12-24/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyYCXSINCAECGHCE-UHFFFAOYSA-N
MW584.12 g/mol
LogP5.59
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881631) has the molecular formula C28H26ClN3O5S2 and a molecular weight of 584.12 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881631
Molecular FormulaC28H26ClN3O5S2
Molecular Weight584.12 g/mol
Exact Mass583.10
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C28H26ClN3O5S2/c1-20-8-15-25(18-21(20)2)32(39(36,37)27-6-4-3-5-7-27)19-28(33)30-23-13-16-26(17-14-23)38(34,35)31-24-11-9-22(29)10-12-24/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyYCXSINCAECGHCE-UHFFFAOYSA-N
XLogP5.59
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.12
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881628
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 126181237
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-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882327
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (CID 43881631) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YCXSINCAECGHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O5S2/c1-20-8-15-25(18-21(20)2)32(39(36,37)27-6-4-3-5-7-27)19-28(33)30-23-13-16-26(17-14-23)38(34,35)31-24-11-9-22(29)10-12-24/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 584.12 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).