3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide

C13H13FN2O4S — CID 82913722

IUPAC3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
SMILESCOc1cccc(COc2ccc(S(N)(=O)=O)cc2F)n1
InChIInChI=1S/C13H13FN2O4S/c1-19-13-4-2-3-9(16-13)8-20-12-6-5-10(7-11(12)14)21(15,17)18/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyBGBUMPLHOLQFCR-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.46
Rot. Bonds5

About 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide

3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide (PubChem CID 82913722) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
PubChem CID82913722
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
SMILESCOc1cccc(COc2ccc(S(N)(=O)=O)cc2F)n1
InChIInChI=1S/C13H13FN2O4S/c1-19-13-4-2-3-9(16-13)8-20-12-6-5-10(7-11(12)14)21(15,17)18/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyBGBUMPLHOLQFCR-UHFFFAOYSA-N
XLogP1.46
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
(6-methoxy-2-pyridinyl)methanesulfonamide
CID 63984915
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide (CID 82913722) is 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide is COc1cccc(COc2ccc(S(N)(=O)=O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide?
The InChIKey is BGBUMPLHOLQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-19-13-4-2-3-9(16-13)8-20-12-6-5-10(7-11(12)14)21(15,17)18/h2-7H,8H2,1H3,(H2,15,17,18).
What are the key properties of 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide?
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide has a molecular weight of 312.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82913722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).