2-methoxy-4-methylbenzenesulfonyl fluoride

C8H9FO3S — CID 141209179

IUPAC2-methoxy-4-methylbenzenesulfonyl fluoride
SMILESCOc1cc(C)ccc1S(=O)(=O)F
InChIInChI=1S/C8H9FO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3
InChIKeyMZXRLQVTSOPGKU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.66
Rot. Bonds2

About 2-methoxy-4-methylbenzenesulfonyl fluoride

2-methoxy-4-methylbenzenesulfonyl fluoride (PubChem CID 141209179) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-methoxy-4-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-methoxy-4-methylbenzenesulfonyl fluoride
PubChem CID141209179
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name2-methoxy-4-methylbenzenesulfonyl fluoride
SMILESCOc1cc(C)ccc1S(=O)(=O)F
InChIInChI=1S/C8H9FO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3
InChIKeyMZXRLQVTSOPGKU-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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Related Compounds

2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 172906645
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
(2-methoxy-4-methylphenyl) 2,3,4-trifluorobenzenesulfonate
CID 30327256
CID 131844912
CID 131844912
(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylbenzenesulfonyl fluoride?
The IUPAC name of 2-methoxy-4-methylbenzenesulfonyl fluoride (CID 141209179) is 2-methoxy-4-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-methoxy-4-methylbenzenesulfonyl fluoride?
The canonical SMILES for 2-methoxy-4-methylbenzenesulfonyl fluoride is COc1cc(C)ccc1S(=O)(=O)F.
What is the InChIKey of 2-methoxy-4-methylbenzenesulfonyl fluoride?
The InChIKey is MZXRLQVTSOPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3.
What are the key properties of 2-methoxy-4-methylbenzenesulfonyl fluoride?
2-methoxy-4-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 2-methoxy-4-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 141209179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).