4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride

C8H8ClFO3S — CID 118097974

IUPAC4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1cc(F)c(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-8(14(9,11)12)7(13-2)4-6(5)10/h3-4H,1-2H3
InChIKeyFOHMHSRYKDACMY-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.07
Rot. Bonds2

About 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride

4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride (PubChem CID 118097974) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride
PubChem CID118097974
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1cc(F)c(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-8(14(9,11)12)7(13-2)4-6(5)10/h3-4H,1-2H3
InChIKeyFOHMHSRYKDACMY-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
(4-Methoxyphenyl)methanesulfonyl fluoride
CID 18958403
2-(4-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 13237409
N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
CID 934523
1-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
CID 72189062
1-[(E)-2-(3-fluorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 72189063
(E)-2-(4-methoxyphenyl)ethenesulfonyl fluoride
CID 155561318
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
2-Methoxy-6-methylbenzene-1-sulfonyl chloride
CID 3718443
4'-Methoxy[1,1'-biphenyl]-3-sulfonyl chloride
CID 4988737
2-Methoxy-5-(propan-2-yl)benzene-1-sulfonyl chloride
CID 6488895

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride (CID 118097974) is 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride is COc1cc(F)c(C)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride?
The InChIKey is FOHMHSRYKDACMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-3-8(14(9,11)12)7(13-2)4-6(5)10/h3-4H,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride?
4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 118097974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).