N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide

C12H7F4NO2S — CID 8500850

IUPACN-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F4NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H
InChIKeyNAGFDLXPRKZDJI-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.04
Rot. Bonds3

About N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide

N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 8500850) has the molecular formula C12H7F4NO2S and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID8500850
Molecular FormulaC12H7F4NO2S
Molecular Weight305.25 g/mol
Exact Mass305.01
IUPAC NameN-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F4NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H
InChIKeyNAGFDLXPRKZDJI-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide (CID 8500850) is N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is NAGFDLXPRKZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H.
What are the key properties of N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide?
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 305.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8500850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).