2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide

C17H16ClF3N2O4S — CID 1100023

IUPAC2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClF3N2O4S/c1-27-13-6-3-11(4-7-13)22-16(24)10-23(28(2,25)26)12-5-8-15(18)14(9-12)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJPPYNKKFVWUTAE-UHFFFAOYSA-N
MW436.84 g/mol
LogP3.77
Rot. Bonds6

About 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 1100023) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
PubChem CID1100023
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H16ClF3N2O4S/c1-27-13-6-3-11(4-7-13)22-16(24)10-23(28(2,25)26)12-5-8-15(18)14(9-12)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyJPPYNKKFVWUTAE-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126270431
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126268305
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide
CID 1142926
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43880198
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1354356

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide (CID 1100023) is 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JPPYNKKFVWUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-27-13-6-3-11(4-7-13)22-16(24)10-23(28(2,25)26)12-5-8-15(18)14(9-12)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide?
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 436.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1100023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).