2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

C27H22ClF3N4O5S2 — CID 43909830

IUPAC2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H22ClF3N4O5S2/c1-18-4-9-23(10-5-18)42(39,40)35(21-8-13-25(28)24(15-21)27(29,30)31)17-26(36)33-19-6-11-22(12-7-19)41(37,38)34-20-3-2-14-32-16-20/h2-16,34H,17H2,1H3,(H,33,36)
InChIKeyOYWOIUZRNUPWJO-UHFFFAOYSA-N
MW639.08 g/mol
LogP5.70
Rot. Bonds9

About 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 43909830) has the molecular formula C27H22ClF3N4O5S2 and a molecular weight of 639.08 g/mol. Its IUPAC name is 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID43909830
Molecular FormulaC27H22ClF3N4O5S2
Molecular Weight639.08 g/mol
Exact Mass638.07
IUPAC Name2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H22ClF3N4O5S2/c1-18-4-9-23(10-5-18)42(39,40)35(21-8-13-25(28)24(15-21)27(29,30)31)17-26(36)33-19-6-11-22(12-7-19)41(37,38)34-20-3-2-14-32-16-20/h2-16,34H,17H2,1H3,(H,33,36)
InChIKeyOYWOIUZRNUPWJO-UHFFFAOYSA-N
XLogP5.70
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.08
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916915
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide
CID 1142926
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide
CID 1000015
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1295597
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-nitrophenyl)acetamide
CID 126034281
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-cyclopentyloxyphenyl)acetamide
CID 43895071
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
CID 1287522
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (CID 43909830) is 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OYWOIUZRNUPWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF3N4O5S2/c1-18-4-9-23(10-5-18)42(39,40)35(21-8-13-25(28)24(15-21)27(29,30)31)17-26(36)33-19-6-11-22(12-7-19)41(37,38)34-20-3-2-14-32-16-20/h2-16,34H,17H2,1H3,(H,33,36).
What are the key properties of 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 639.08 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).