2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide

C12H5F6NO2S — CID 134093089

IUPAC2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO2S/c13-5-3-1-2-4-6(5)19-22(20,21)12-10(17)8(15)7(14)9(16)11(12)18/h1-4,19H
InChIKeyHHJUJXWQGZASST-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.32
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 134093089) has the molecular formula C12H5F6NO2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID134093089
Molecular FormulaC12H5F6NO2S
Molecular Weight341.23 g/mol
Exact Mass340.99
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO2S/c13-5-3-1-2-4-6(5)19-22(20,21)12-10(17)8(15)7(14)9(16)11(12)18/h1-4,19H
InChIKeyHHJUJXWQGZASST-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.32
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-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoic acid
CID 71269303
N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 69369794
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide (CID 134093089) is 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is HHJUJXWQGZASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6NO2S/c13-5-3-1-2-4-6(5)19-22(20,21)12-10(17)8(15)7(14)9(16)11(12)18/h1-4,19H.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 134093089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).