2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C15H12BrF4NO2S — CID 52697144

IUPAC2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12BrF4NO2S/c1-21(9-10-4-2-3-5-12(10)15(18,19)20)24(22,23)14-7-6-11(17)8-13(14)16/h2-8H,9H2,1H3
InChIKeyOGHJBSUWPDJQDG-UHFFFAOYSA-N
MW426.23 g/mol
LogP4.43
Rot. Bonds4

About 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 52697144) has the molecular formula C15H12BrF4NO2S and a molecular weight of 426.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID52697144
Molecular FormulaC15H12BrF4NO2S
Molecular Weight426.23 g/mol
Exact Mass424.97
IUPAC Name2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12BrF4NO2S/c1-21(9-10-4-2-3-5-12(10)15(18,19)20)24(22,23)14-7-6-11(17)8-13(14)16/h2-8H,9H2,1H3
InChIKeyOGHJBSUWPDJQDG-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 52697144) is 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is OGHJBSUWPDJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4NO2S/c1-21(9-10-4-2-3-5-12(10)15(18,19)20)24(22,23)14-7-6-11(17)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 426.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 52697144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).