4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide

C13H13FN2O3S — CID 71852092

IUPAC4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C13H13FN2O3S/c1-9-12(7-8-13(15-9)19-2)16-20(17,18)11-5-3-10(14)4-6-11/h3-8,16H,1-2H3
InChIKeyWUFNSXGIBKSOFP-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.34
Rot. Bonds4

About 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide

4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 71852092) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID71852092
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C13H13FN2O3S/c1-9-12(7-8-13(15-9)19-2)16-20(17,18)11-5-3-10(14)4-6-11/h3-8,16H,1-2H3
InChIKeyWUFNSXGIBKSOFP-UHFFFAOYSA-N
XLogP2.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide (CID 71852092) is 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1.
What is the InChIKey of 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is WUFNSXGIBKSOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-9-12(7-8-13(15-9)19-2)16-20(17,18)11-5-3-10(14)4-6-11/h3-8,16H,1-2H3.
What are the key properties of 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide?
4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71852092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).