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

C13H11ClFNO3S — CID 82910183

IUPAC5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2ccc(F)cc2S(=O)(=O)Cl)n1
InChIInChI=1S/C13H11ClFNO3S/c1-9-3-2-4-11(16-9)8-19-12-6-5-10(15)7-13(12)20(14,17)18/h2-7H,8H2,1H3
InChIKeyBLHBTNNLVQRUGU-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.04
Rot. Bonds4

About 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride

5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride (PubChem CID 82910183) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
PubChem CID82910183
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2ccc(F)cc2S(=O)(=O)Cl)n1
InChIInChI=1S/C13H11ClFNO3S/c1-9-3-2-4-11(16-9)8-19-12-6-5-10(15)7-13(12)20(14,17)18/h2-7H,8H2,1H3
InChIKeyBLHBTNNLVQRUGU-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

3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
4-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 79263412
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride (CID 82910183) is 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride is Cc1cccc(COc2ccc(F)cc2S(=O)(=O)Cl)n1.
What is the InChIKey of 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
The InChIKey is BLHBTNNLVQRUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-9-3-2-4-11(16-9)8-19-12-6-5-10(15)7-13(12)20(14,17)18/h2-7H,8H2,1H3.
What are the key properties of 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride?
5-fluoro-2-[(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 5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).