3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C14H11F4NO2S — CID 166319735

IUPAC3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(S(N)(=O)=O)c2)cc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NO2S/c1-8-5-10(7-12(13(8)15)14(16,17)18)9-3-2-4-11(6-9)22(19,20)21/h2-7H,1H3,(H2,19,20,21)
InChIKeyYSNGAAYWGKVTEV-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.47
Rot. Bonds2

About 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide

3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 166319735) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID166319735
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC Name3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(S(N)(=O)=O)c2)cc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NO2S/c1-8-5-10(7-12(13(8)15)14(16,17)18)9-3-2-4-11(6-9)22(19,20)21/h2-7H,1H3,(H2,19,20,21)
InChIKeyYSNGAAYWGKVTEV-UHFFFAOYSA-N
XLogP3.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-fluoro-3-methyl-5-(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-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 166319735) is 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(-c2cccc(S(N)(=O)=O)c2)cc(C(F)(F)F)c1F.
What is the InChIKey of 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YSNGAAYWGKVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-8-5-10(7-12(13(8)15)14(16,17)18)9-3-2-4-11(6-9)22(19,20)21/h2-7H,1H3,(H2,19,20,21).
What are the key properties of 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 333.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166319735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).