fluoro-(3-methoxyphenyl)methanesulfonyl chloride

C8H8ClFO3S — CID 84727802

IUPACfluoro-(3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(C(F)S(=O)(=O)Cl)c1
InChIInChI=1S/C8H8ClFO3S/c1-13-7-4-2-3-6(5-7)8(10)14(9,11)12/h2-5,8H,1H3
InChIKeyBOGOJLUBBAOBTC-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.23
Rot. Bonds3

About fluoro-(3-methoxyphenyl)methanesulfonyl chloride

fluoro-(3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84727802) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is fluoro-(3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Namefluoro-(3-methoxyphenyl)methanesulfonyl chloride
PubChem CID84727802
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Namefluoro-(3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(C(F)S(=O)(=O)Cl)c1
InChIInChI=1S/C8H8ClFO3S/c1-13-7-4-2-3-6(5-7)8(10)14(9,11)12/h2-5,8H,1H3
InChIKeyBOGOJLUBBAOBTC-UHFFFAOYSA-N
XLogP2.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze fluoro-(3-methoxyphenyl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
1-chlorosulfonyloxy-3-methoxybenzene
CID 55280544
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
CID 82360005
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
2-chloro-2-(3-methoxyphenyl)acetyl chloride
CID 14169390
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131

Frequently Asked Questions

What is the IUPAC name of fluoro-(3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of fluoro-(3-methoxyphenyl)methanesulfonyl chloride (CID 84727802) is fluoro-(3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for fluoro-(3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for fluoro-(3-methoxyphenyl)methanesulfonyl chloride is COc1cccc(C(F)S(=O)(=O)Cl)c1.
What is the InChIKey of fluoro-(3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is BOGOJLUBBAOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-13-7-4-2-3-6(5-7)8(10)14(9,11)12/h2-5,8H,1H3.
What are the key properties of fluoro-(3-methoxyphenyl)methanesulfonyl chloride?
fluoro-(3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84727802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).