2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H10F5NO2S — CID 27305807

IUPAC2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10F5NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeySBEXDXURJJMLFN-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.46
Rot. Bonds4

About 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 27305807) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID27305807
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC Name2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10F5NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeySBEXDXURJJMLFN-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-difluoro-N-[[4-(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

Related Compounds

2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[(2-chloro-3,6-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 4994625
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 27305807) is 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SBEXDXURJJMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 27305807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).