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

C28H26ClN3O6S2 — CID 126412709

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-20-4-3-5-24(18-20)32(40(36,37)27-14-6-21(29)7-15-27)19-28(33)30-22-10-16-26(17-11-22)39(34,35)31-23-8-12-25(38-2)13-9-23/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyBUJGNSVNQCRMFG-UHFFFAOYSA-N
MW600.12 g/mol
LogP5.29
Rot. Bonds10

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

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 126412709) has the molecular formula C28H26ClN3O6S2 and a molecular weight of 600.12 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID126412709
Molecular FormulaC28H26ClN3O6S2
Molecular Weight600.12 g/mol
Exact Mass599.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-20-4-3-5-24(18-20)32(40(36,37)27-14-6-21(29)7-15-27)19-28(33)30-22-10-16-26(17-11-22)39(34,35)31-23-8-12-25(38-2)13-9-23/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyBUJGNSVNQCRMFG-UHFFFAOYSA-N
XLogP5.29
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.12
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880325
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647335
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880892
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 126412709) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is BUJGNSVNQCRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O6S2/c1-20-4-3-5-24(18-20)32(40(36,37)27-14-6-21(29)7-15-27)19-28(33)30-22-10-16-26(17-11-22)39(34,35)31-23-8-12-25(38-2)13-9-23/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 600.12 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).