3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C12H10F2N2O3S — CID 47072257

IUPAC3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C12H10F2N2O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-10(13)11(14)6-9/h2-7,15H,1H3
InChIKeyQSPLWFWMCKBXBA-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.46
Rot. Bonds3

About 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 47072257) has the molecular formula C12H10F2N2O3S and a molecular weight of 300.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID47072257
Molecular FormulaC12H10F2N2O3S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C12H10F2N2O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-10(13)11(14)6-9/h2-7,15H,1H3
InChIKeyQSPLWFWMCKBXBA-UHFFFAOYSA-N
XLogP1.46
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 47072257) is 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1=O.
What is the InChIKey of 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is QSPLWFWMCKBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-10(13)11(14)6-9/h2-7,15H,1H3.
What are the key properties of 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 300.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 47072257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).