2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

C13H10F3NO2S — CID 5020613

IUPAC2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10F3NO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3
InChIKeyZVJDHCIIQROCIM-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.21
Rot. Bonds3

About 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 5020613) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID5020613
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10F3NO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3
InChIKeyZVJDHCIIQROCIM-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (CID 5020613) is 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is ZVJDHCIIQROCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3.
What are the key properties of 2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 301.29 g/mol, XLogP of 3.21, 3 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-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 5020613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).