2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

C29H27Cl2N3O5S2 — CID 126414676

IUPAC2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C29H27Cl2N3O5S2/c1-19-5-11-25(12-6-19)41(38,39)34(28-17-22(30)8-15-26(28)31)18-29(35)32-23-9-13-24(14-10-23)40(36,37)33-27-16-20(2)4-7-21(27)3/h4-17,33H,18H2,1-3H3,(H,32,35)
InChIKeyMLLOOZXENMPWBN-UHFFFAOYSA-N
MW632.59 g/mol
LogP6.55
Rot. Bonds9

About 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 126414676) has the molecular formula C29H27Cl2N3O5S2 and a molecular weight of 632.59 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID126414676
Molecular FormulaC29H27Cl2N3O5S2
Molecular Weight632.59 g/mol
Exact Mass631.08
IUPAC Name2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C29H27Cl2N3O5S2/c1-19-5-11-25(12-6-19)41(38,39)34(28-17-22(30)8-15-26(28)31)18-29(35)32-23-9-13-24(14-10-23)40(36,37)33-27-16-20(2)4-7-21(27)3/h4-17,33H,18H2,1-3H3,(H,32,35)
InChIKeyMLLOOZXENMPWBN-UHFFFAOYSA-N
XLogP6.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.59
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3876955
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880566
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4217286
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881682
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3891915
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3428326

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 126414676) is 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is MLLOOZXENMPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N3O5S2/c1-19-5-11-25(12-6-19)41(38,39)34(28-17-22(30)8-15-26(28)31)18-29(35)32-23-9-13-24(14-10-23)40(36,37)33-27-16-20(2)4-7-21(27)3/h4-17,33H,18H2,1-3H3,(H,32,35).
What are the key properties of 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 632.59 g/mol, XLogP of 6.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126414676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).