2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide

C8H4F7NO2S — CID 167079782

IUPAC2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C8H4F7NO2S/c1-16-19(17,18)7-2(8(13,14)15)3(9)4(10)5(11)6(7)12/h16H,1H3
InChIKeyIOFWICDTOOMHJP-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.17
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide

2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 167079782) has the molecular formula C8H4F7NO2S and a molecular weight of 311.18 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide
PubChem CID167079782
Molecular FormulaC8H4F7NO2S
Molecular Weight311.18 g/mol
Exact Mass310.99
IUPAC Name2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C8H4F7NO2S/c1-16-19(17,18)7-2(8(13,14)15)3(9)4(10)5(11)6(7)12/h16H,1H3
InChIKeyIOFWICDTOOMHJP-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide (CID 167079782) is 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide is CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IOFWICDTOOMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO2S/c1-16-19(17,18)7-2(8(13,14)15)3(9)4(10)5(11)6(7)12/h16H,1H3.
What are the key properties of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide?
2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 311.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167079782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).