3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride

C13H11ClFNO3S — CID 82916085

IUPAC3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C13H11ClFNO3S/c1-9-3-2-4-10(16-9)8-19-13-6-5-11(7-12(13)15)20(14,17)18/h2-7H,8H2,1H3
InChIKeyQJKYKLYRYNOPPM-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.04
Rot. Bonds4

About 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride

3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride (PubChem CID 82916085) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
PubChem CID82916085
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1
InChIInChI=1S/C13H11ClFNO3S/c1-9-3-2-4-10(16-9)8-19-13-6-5-11(7-12(13)15)20(14,17)18/h2-7H,8H2,1H3
InChIKeyQJKYKLYRYNOPPM-UHFFFAOYSA-N
XLogP3.04
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114674951
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride (CID 82916085) is 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride is Cc1cccc(COc2ccc(S(=O)(=O)Cl)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The InChIKey is QJKYKLYRYNOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-9-3-2-4-10(16-9)8-19-13-6-5-11(7-12(13)15)20(14,17)18/h2-7H,8H2,1H3.
What are the key properties of 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride has a molecular weight of 315.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82916085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).