4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide

C13H9F5N2O2S — CID 70908235

IUPAC4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C13H9F5N2O2S/c14-7-1-3-11(10(15)5-7)20-8-2-4-12(23(19,21)22)9(6-8)13(16,17)18/h1-6,20H,(H2,19,21,22)
InChIKeyOEGHYZFNOAFIQJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.37
Rot. Bonds3

About 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide

4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 70908235) has the molecular formula C13H9F5N2O2S and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID70908235
Molecular FormulaC13H9F5N2O2S
Molecular Weight352.28 g/mol
Exact Mass352.03
IUPAC Name4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C13H9F5N2O2S/c14-7-1-3-11(10(15)5-7)20-8-2-4-12(23(19,21)22)9(6-8)13(16,17)18/h1-6,20H,(H2,19,21,22)
InChIKeyOEGHYZFNOAFIQJ-UHFFFAOYSA-N
XLogP3.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide (CID 70908235) is 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F.
What is the InChIKey of 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OEGHYZFNOAFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O2S/c14-7-1-3-11(10(15)5-7)20-8-2-4-12(23(19,21)22)9(6-8)13(16,17)18/h1-6,20H,(H2,19,21,22).
What are the key properties of 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70908235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).