N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C15H13F4NO2S — CID 24581067

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C15H13F4NO2S/c1-10-8-11(6-7-13(10)16)9-20-23(21,22)14-5-3-2-4-12(14)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyQKCAWXNQZIOBIQ-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.63
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24581067) has the molecular formula C15H13F4NO2S and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24581067
Molecular FormulaC15H13F4NO2S
Molecular Weight347.33 g/mol
Exact Mass347.06
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C15H13F4NO2S/c1-10-8-11(6-7-13(10)16)9-20-23(21,22)14-5-3-2-4-12(14)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyQKCAWXNQZIOBIQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 120723910
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 18208923
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 24581067) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QKCAWXNQZIOBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2S/c1-10-8-11(6-7-13(10)16)9-20-23(21,22)14-5-3-2-4-12(14)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24581067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).