2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

C12H4F7NO2S — CID 22774544

IUPAC2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C12H4F7NO2S/c13-4-1-2-6(5(14)3-4)23(21,22)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,20H
InChIKeyMNISWHOMDMNGDH-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.46
Rot. Bonds3

About 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide (PubChem CID 22774544) has the molecular formula C12H4F7NO2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
PubChem CID22774544
Molecular FormulaC12H4F7NO2S
Molecular Weight359.22 g/mol
Exact Mass358.99
IUPAC Name2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C12H4F7NO2S/c13-4-1-2-6(5(14)3-4)23(21,22)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,20H
InChIKeyMNISWHOMDMNGDH-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-(2-amino-4-bromo-6-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 43550996
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide (CID 22774544) is 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The InChIKey is MNISWHOMDMNGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F7NO2S/c13-4-1-2-6(5(14)3-4)23(21,22)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,20H.
What are the key properties of 2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.46, 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-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide is sourced from PubChem (CID 22774544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).