3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C15H14F3NO2S — CID 7995391

IUPAC3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2S/c1-11-4-2-7-14(8-11)22(20,21)19-10-12-5-3-6-13(9-12)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyVTIWMQAXAWTSBB-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 7995391) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID7995391
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2S/c1-11-4-2-7-14(8-11)22(20,21)19-10-12-5-3-6-13(9-12)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyVTIWMQAXAWTSBB-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]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-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 7995391) is 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is VTIWMQAXAWTSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-11-4-2-7-14(8-11)22(20,21)19-10-12-5-3-6-13(9-12)15(16,17)18/h2-9,19H,10H2,1H3.
What are the key properties of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 7995391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).