4-methoxy-3-methylbenzenesulfonyl fluoride

C8H9FO3S — CID 82282729

IUPAC4-methoxy-3-methylbenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1C
InChIInChI=1S/C8H9FO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKeyVKDGFRMWRZLHHY-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.66
Rot. Bonds2

About 4-methoxy-3-methylbenzenesulfonyl fluoride

4-methoxy-3-methylbenzenesulfonyl fluoride (PubChem CID 82282729) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-methoxy-3-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-methoxy-3-methylbenzenesulfonyl fluoride
PubChem CID82282729
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name4-methoxy-3-methylbenzenesulfonyl fluoride
SMILESCOc1ccc(S(=O)(=O)F)cc1C
InChIInChI=1S/C8H9FO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKeyVKDGFRMWRZLHHY-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylbenzenesulfonyl fluoride?
The IUPAC name of 4-methoxy-3-methylbenzenesulfonyl fluoride (CID 82282729) is 4-methoxy-3-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-methoxy-3-methylbenzenesulfonyl fluoride?
The canonical SMILES for 4-methoxy-3-methylbenzenesulfonyl fluoride is COc1ccc(S(=O)(=O)F)cc1C.
What is the InChIKey of 4-methoxy-3-methylbenzenesulfonyl fluoride?
The InChIKey is VKDGFRMWRZLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3.
What are the key properties of 4-methoxy-3-methylbenzenesulfonyl fluoride?
4-methoxy-3-methylbenzenesulfonyl fluoride has a molecular weight of 204.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 82282729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).