6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide

C7H8F2N2O4S — CID 118848663

IUPAC6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide
SMILESCOc1c(C(F)F)[nH]c(S(N)(=O)=O)cc1=O
InChIInChI=1S/C7H8F2N2O4S/c1-15-6-3(12)2-4(16(10,13)14)11-5(6)7(8)9/h2,7H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyKMLILTVIIGLHDS-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.03
Rot. Bonds3

About 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide

6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide (PubChem CID 118848663) has the molecular formula C7H8F2N2O4S and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide
PubChem CID118848663
Molecular FormulaC7H8F2N2O4S
Molecular Weight254.21 g/mol
Exact Mass254.02
IUPAC Name6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide
SMILESCOc1c(C(F)F)[nH]c(S(N)(=O)=O)cc1=O
InChIInChI=1S/C7H8F2N2O4S/c1-15-6-3(12)2-4(16(10,13)14)11-5(6)7(8)9/h2,7H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyKMLILTVIIGLHDS-UHFFFAOYSA-N
XLogP-0.03
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide?
The IUPAC name of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide (CID 118848663) is 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide?
The canonical SMILES for 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide is COc1c(C(F)F)[nH]c(S(N)(=O)=O)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide?
The InChIKey is KMLILTVIIGLHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4S/c1-15-6-3(12)2-4(16(10,13)14)11-5(6)7(8)9/h2,7H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide?
6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide has a molecular weight of 254.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-sulfonamide is sourced from PubChem (CID 118848663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).