3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide

C13H13FN2O3S — CID 103299968

IUPAC3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O3S/c1-16(10-5-7-11(19-2)8-6-10)20(17,18)13-12(14)4-3-9-15-13/h3-9H,1-2H3
InChIKeyYKTFLIBUHHJTIN-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.05
Rot. Bonds4

About 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide

3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide (PubChem CID 103299968) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
PubChem CID103299968
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O3S/c1-16(10-5-7-11(19-2)8-6-10)20(17,18)13-12(14)4-3-9-15-13/h3-9H,1-2H3
InChIKeyYKTFLIBUHHJTIN-UHFFFAOYSA-N
XLogP2.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide (CID 103299968) is 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ncccc2F)cc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide?
The InChIKey is YKTFLIBUHHJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-16(10-5-7-11(19-2)8-6-10)20(17,18)13-12(14)4-3-9-15-13/h3-9H,1-2H3.
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide?
3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103299968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).