3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H10F5NO2S — CID 3520155

IUPAC3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F5NO2S/c15-12-6-5-11(7-13(12)16)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyKYLVPCLKQQICHC-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.46
Rot. Bonds4

About 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3520155) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3520155
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC Name3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F5NO2S/c15-12-6-5-11(7-13(12)16)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeyKYLVPCLKQQICHC-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 3,4-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

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 98000782

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3520155) is 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KYLVPCLKQQICHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c15-12-6-5-11(7-13(12)16)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 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3,4-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 3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3520155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).