3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H8F9NO2S — CID 15703413

IUPAC3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-11(4-2-8)25-28(26,27)12-6-9(14(19,20)21)5-10(7-12)15(22,23)24/h1-7,25H
InChIKeyNQJHLHUBOAQIFS-UHFFFAOYSA-N
MW437.28 g/mol
LogP5.54
Rot. Bonds3

About 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 15703413) has the molecular formula C15H8F9NO2S and a molecular weight of 437.28 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID15703413
Molecular FormulaC15H8F9NO2S
Molecular Weight437.28 g/mol
Exact Mass437.01
IUPAC Name3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-11(4-2-8)25-28(26,27)12-6-9(14(19,20)21)5-10(7-12)15(22,23)24/h1-7,25H
InChIKeyNQJHLHUBOAQIFS-UHFFFAOYSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 15703413) is 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is NQJHLHUBOAQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9NO2S/c16-13(17,18)8-1-3-11(4-2-8)25-28(26,27)12-6-9(14(19,20)21)5-10(7-12)15(22,23)24/h1-7,25H.
What are the key properties of 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 437.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15703413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).