2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

C29H25ClF3N3O5S2 — CID 43880566

IUPAC2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C29H25ClF3N3O5S2/c1-19-8-9-20(2)26(16-19)35-42(38,39)23-13-11-22(12-14-23)34-28(37)18-36(43(40,41)24-6-4-3-5-7-24)27-17-21(29(31,32)33)10-15-25(27)30/h3-17,35H,18H2,1-2H3,(H,34,37)
InChIKeyARZWZSHIWWUNGP-UHFFFAOYSA-N
MW652.12 g/mol
LogP6.61
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880566) has the molecular formula C29H25ClF3N3O5S2 and a molecular weight of 652.12 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880566
Molecular FormulaC29H25ClF3N3O5S2
Molecular Weight652.12 g/mol
Exact Mass651.09
IUPAC Name2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C29H25ClF3N3O5S2/c1-19-8-9-20(2)26(16-19)35-42(38,39)23-13-11-22(12-14-23)34-28(37)18-36(43(40,41)24-6-4-3-5-7-24)27-17-21(29(31,32)33)10-15-25(27)30/h3-17,35H,18H2,1-2H3,(H,34,37)
InChIKeyARZWZSHIWWUNGP-UHFFFAOYSA-N
XLogP6.61
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.12
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126414676
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880229
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 43880016
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880933
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881113
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880869
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880830
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 43880566) is 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ARZWZSHIWWUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF3N3O5S2/c1-19-8-9-20(2)26(16-19)35-42(38,39)23-13-11-22(12-14-23)34-28(37)18-36(43(40,41)24-6-4-3-5-7-24)27-17-21(29(31,32)33)10-15-25(27)30/h3-17,35H,18H2,1-2H3,(H,34,37).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 652.12 g/mol, XLogP of 6.61, 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-chloro-5-(trifluoromethyl)anilino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).