2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide

C8H6F5NO3S — CID 170998891

IUPAC2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO3S/c9-7(10)6-4(17-8(11,12)13)2-1-3-5(6)18(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyZGPXOFQUHNDXLJ-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.17
Rot. Bonds3

About 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide

2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170998891) has the molecular formula C8H6F5NO3S and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID170998891
Molecular FormulaC8H6F5NO3S
Molecular Weight291.20 g/mol
Exact Mass291.00
IUPAC Name2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6F5NO3S/c9-7(10)6-4(17-8(11,12)13)2-1-3-5(6)18(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyZGPXOFQUHNDXLJ-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 170998891) is 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1cccc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZGPXOFQUHNDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3S/c9-7(10)6-4(17-8(11,12)13)2-1-3-5(6)18(14,15)16/h1-3,7H,(H2,14,15,16).
What are the key properties of 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide?
2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 291.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170998891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).