2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

C28H26ClN3O5S2 — CID 126416913

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C28H26ClN3O5S2/c1-20-6-5-8-24(18-20)31-38(34,35)25-16-12-23(13-17-25)30-28(33)19-32(27-9-4-3-7-21(27)2)39(36,37)26-14-10-22(29)11-15-26/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyXTAJLIBOCIEZBB-UHFFFAOYSA-N
MW584.12 g/mol
LogP5.59
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 126416913) has the molecular formula C28H26ClN3O5S2 and a molecular weight of 584.12 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID126416913
Molecular FormulaC28H26ClN3O5S2
Molecular Weight584.12 g/mol
Exact Mass583.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C28H26ClN3O5S2/c1-20-6-5-8-24(18-20)31-38(34,35)25-16-12-23(13-17-25)30-28(33)19-32(27-9-4-3-7-21(27)2)39(36,37)26-14-10-22(29)11-15-26/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyXTAJLIBOCIEZBB-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-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4217286
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880803
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
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
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (CID 126416913) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is XTAJLIBOCIEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O5S2/c1-20-6-5-8-24(18-20)31-38(34,35)25-16-12-23(13-17-25)30-28(33)19-32(27-9-4-3-7-21(27)2)39(36,37)26-14-10-22(29)11-15-26/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)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-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126416913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).