2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide

C6H6F2N2O4S — CID 130100388

IUPAC2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C6H6F2N2O4S/c7-6(8)3-5(15(9,13)14)4(12)2(11)1-10-3/h1,6,11H,(H,10,12)(H2,9,13,14)
InChIKeyXSBCDUDWMMNODM-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.33
Rot. Bonds2

About 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide

2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 130100388) has the molecular formula C6H6F2N2O4S and a molecular weight of 240.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID130100388
Molecular FormulaC6H6F2N2O4S
Molecular Weight240.19 g/mol
Exact Mass240.00
IUPAC Name2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1c(C(F)F)[nH]cc(O)c1=O
InChIInChI=1S/C6H6F2N2O4S/c7-6(8)3-5(15(9,13)14)4(12)2(11)1-10-3/h1,6,11H,(H,10,12)(H2,9,13,14)
InChIKeyXSBCDUDWMMNODM-UHFFFAOYSA-N
XLogP-0.33
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
3-fluoro-5-hydroxy-2-propan-2-yl-1H-pyridin-4-one
CID 118460200
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
5-cyano-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130077089
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide (CID 130100388) is 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide is NS(=O)(=O)c1c(C(F)F)[nH]cc(O)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is XSBCDUDWMMNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O4S/c7-6(8)3-5(15(9,13)14)4(12)2(11)1-10-3/h1,6,11H,(H,10,12)(H2,9,13,14).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide?
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 240.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 130100388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).