(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride

C9H10ClFO3S — CID 84707711

IUPAC(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1C
InChIInChI=1S/C9H10ClFO3S/c1-6-8(11)4-3-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3
InChIKeyXNGNIVHURMEJSM-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.21
Rot. Bonds3

About (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride

(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride (PubChem CID 84707711) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
PubChem CID84707711
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(F)c1C
InChIInChI=1S/C9H10ClFO3S/c1-6-8(11)4-3-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3
InChIKeyXNGNIVHURMEJSM-UHFFFAOYSA-N
XLogP2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluoro-2-methoxy-3-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride (CID 84707711) is (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)ccc(F)c1C.
What is the InChIKey of (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is XNGNIVHURMEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-6-8(11)4-3-7(9(6)14-2)5-15(10,12)13/h3-4H,5H2,1-2H3.
What are the key properties of (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride?
(4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxy-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84707711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).