5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C14H15FN2O3S — CID 11551341

IUPAC5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(F)ccc2C)n1
InChIInChI=1S/C14H15FN2O3S/c1-10-6-7-11(15)8-13(10)21(18,19)17-14-5-3-4-12(16-14)9-20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyYZMMPGQCBGGPEV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.48
Rot. Bonds5

About 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11551341) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11551341
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(F)ccc2C)n1
InChIInChI=1S/C14H15FN2O3S/c1-10-6-7-11(15)8-13(10)21(18,19)17-14-5-3-4-12(16-14)9-20-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyYZMMPGQCBGGPEV-UHFFFAOYSA-N
XLogP2.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11551341) is 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is COCc1cccc(NS(=O)(=O)c2cc(F)ccc2C)n1.
What is the InChIKey of 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is YZMMPGQCBGGPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10-6-7-11(15)8-13(10)21(18,19)17-14-5-3-4-12(16-14)9-20-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-(methoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11551341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).