2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C22H17Cl2F3N2O3S — CID 126411792

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2F3N2O3S/c1-14-3-2-4-17(11-14)29(33(31,32)18-8-5-15(23)6-9-18)13-21(30)28-16-7-10-20(24)19(12-16)22(25,26)27/h2-12H,13H2,1H3,(H,28,30)
InChIKeyFOXVKGONTOCEDY-UHFFFAOYSA-N
MW517.36 g/mol
LogP6.15
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 126411792) has the molecular formula C22H17Cl2F3N2O3S and a molecular weight of 517.36 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID126411792
Molecular FormulaC22H17Cl2F3N2O3S
Molecular Weight517.36 g/mol
Exact Mass516.03
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H17Cl2F3N2O3S/c1-14-3-2-4-17(11-14)29(33(31,32)18-8-5-15(23)6-9-18)13-21(30)28-16-7-10-20(24)19(12-16)22(25,26)27/h2-12H,13H2,1H3,(H,28,30)
InChIKeyFOXVKGONTOCEDY-UHFFFAOYSA-N
XLogP6.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.36
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1295597
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881923
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-nitrophenyl)acetamide
CID 126034281
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4268045
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 51344971
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344242
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 126411792) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is Cc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FOXVKGONTOCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2O3S/c1-14-3-2-4-17(11-14)29(33(31,32)18-8-5-15(23)6-9-18)13-21(30)28-16-7-10-20(24)19(12-16)22(25,26)27/h2-12H,13H2,1H3,(H,28,30).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 517.36 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126411792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).