2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide

C6H5F3N2O2S — CID 118854230

IUPAC2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(F)cnc1C(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-3-1-4(14(10,12)13)5(6(8)9)11-2-3/h1-2,6H,(H2,10,12,13)
InChIKeySNTCXTWDLNRHKK-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.81
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide

2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 118854230) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide
PubChem CID118854230
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(F)cnc1C(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-3-1-4(14(10,12)13)5(6(8)9)11-2-3/h1-2,6H,(H2,10,12,13)
InChIKeySNTCXTWDLNRHKK-UHFFFAOYSA-N
XLogP0.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide (CID 118854230) is 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide is NS(=O)(=O)c1cc(F)cnc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is SNTCXTWDLNRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-3-1-4(14(10,12)13)5(6(8)9)11-2-3/h1-2,6H,(H2,10,12,13).
What are the key properties of 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide?
2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 226.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 118854230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).