3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride

C8H8ClFO3S — CID 75480425

IUPAC3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(C)c1F
InChIInChI=1S/C8H8ClFO3S/c1-5-7(14(9,11)12)4-3-6(13-2)8(5)10/h3-4H,1-2H3
InChIKeyBELVUVMOPNDPCJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.07
Rot. Bonds2

About 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride

3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride (PubChem CID 75480425) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride
PubChem CID75480425
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(C)c1F
InChIInChI=1S/C8H8ClFO3S/c1-5-7(14(9,11)12)4-3-6(13-2)8(5)10/h3-4H,1-2H3
InChIKeyBELVUVMOPNDPCJ-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride (CID 75480425) is 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)c(C)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride?
The InChIKey is BELVUVMOPNDPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-7(14(9,11)12)4-3-6(13-2)8(5)10/h3-4H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride?
3-fluoro-4-methoxy-2-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 3-fluoro-4-methoxy-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 75480425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).