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

C8H4F7NO3S — CID 164941135

IUPAC2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)(F)F
InChIInChI=1S/C8H4F7NO3S/c1-16-20(17,18)7-5(12)3(10)2(9)4(11)6(7)19-8(13,14)15/h16H,1H3
InChIKeyBAGMMNMNJYIGBA-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.05
Rot. Bonds3

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

2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164941135) has the molecular formula C8H4F7NO3S and a molecular weight of 327.18 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
PubChem CID164941135
Molecular FormulaC8H4F7NO3S
Molecular Weight327.18 g/mol
Exact Mass326.98
IUPAC Name2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)(F)F
InChIInChI=1S/C8H4F7NO3S/c1-16-20(17,18)7-5(12)3(10)2(9)4(11)6(7)19-8(13,14)15/h16H,1H3
InChIKeyBAGMMNMNJYIGBA-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide (CID 164941135) is 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide is CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)(F)F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BAGMMNMNJYIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO3S/c1-16-20(17,18)7-5(12)3(10)2(9)4(11)6(7)19-8(13,14)15/h16H,1H3.
What are the key properties of 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 327.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-methyl-6-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164941135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).