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

C9H6F7NO2S — CID 167079780

IUPAC2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C9H6F7NO2S/c1-17(2)20(18,19)8-3(9(14,15)16)4(10)5(11)6(12)7(8)13/h1-2H3
InChIKeyLUKKIAFFIOFECB-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.51
Rot. Bonds2

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

2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 167079780) has the molecular formula C9H6F7NO2S and a molecular weight of 325.21 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide
PubChem CID167079780
Molecular FormulaC9H6F7NO2S
Molecular Weight325.21 g/mol
Exact Mass325.00
IUPAC Name2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C9H6F7NO2S/c1-17(2)20(18,19)8-3(9(14,15)16)4(10)5(11)6(12)7(8)13/h1-2H3
InChIKeyLUKKIAFFIOFECB-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
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,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide (CID 167079780) is 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide is CN(C)S(=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,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LUKKIAFFIOFECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO2S/c1-17(2)20(18,19)8-3(9(14,15)16)4(10)5(11)6(12)7(8)13/h1-2H3.
What are the key properties of 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide?
2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 325.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N,N-dimethyl-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167079780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).