2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H15Cl2F3N2O3S — CID 1299985

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15Cl2F3N2O3S/c22-14-10-11-19(17(23)12-14)28(32(30,31)15-6-2-1-3-7-15)13-20(29)27-18-9-5-4-8-16(18)21(24,25)26/h1-12H,13H2,(H,27,29)
InChIKeyGMGPGGKWGZEGFM-UHFFFAOYSA-N
MW503.33 g/mol
LogP5.85
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1299985) has the molecular formula C21H15Cl2F3N2O3S and a molecular weight of 503.33 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1299985
Molecular FormulaC21H15Cl2F3N2O3S
Molecular Weight503.33 g/mol
Exact Mass502.01
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15Cl2F3N2O3S/c22-14-10-11-19(17(23)12-14)28(32(30,31)15-6-2-1-3-7-15)13-20(29)27-18-9-5-4-8-16(18)21(24,25)26/h1-12H,13H2,(H,27,29)
InChIKeyGMGPGGKWGZEGFM-UHFFFAOYSA-N
XLogP5.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(2,6-difluorophenyl)acetamide
CID 126331811
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343792
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1252073
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1299985) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GMGPGGKWGZEGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O3S/c22-14-10-11-19(17(23)12-14)28(32(30,31)15-6-2-1-3-7-15)13-20(29)27-18-9-5-4-8-16(18)21(24,25)26/h1-12H,13H2,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 503.33 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1299985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).