6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride

C8H8ClFO3S — CID 84700846

IUPAC6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(C)ccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-4-6(10)8(7(5)13-2)14(9,11)12/h3-4H,1-2H3
InChIKeyHRYZAKWEFHBZBJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.07
Rot. Bonds2

About 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride

6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride (PubChem CID 84700846) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
PubChem CID84700846
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(C)ccc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-5-3-4-6(10)8(7(5)13-2)14(9,11)12/h3-4H,1-2H3
InChIKeyHRYZAKWEFHBZBJ-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

Analyze 6-fluoro-2-methoxy-3-methylbenzenesulfonyl 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

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
(1Z,3E)-1-bromo-4-(2-methoxyphenyl)buta-1,3-diene-1-sulfonyl fluoride
CID 168297043
(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
CID 155530930
1-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]benzene
CID 72189062
1-[(E)-2-(3-fluorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 72189063
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
2-Methoxy-6-methylbenzene-1-sulfonyl chloride
CID 3718443
2-Methoxy-5-(propan-2-yl)benzene-1-sulfonyl chloride
CID 6488895
2-Methoxy-4-methylbenzene-1-sulfonyl chloride
CID 11345048
5-tert-Butyl-2-methoxybenzene-1-sulfonyl chloride
CID 13210231
4-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 15915317

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride (CID 84700846) is 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride is COc1c(C)ccc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride?
The InChIKey is HRYZAKWEFHBZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-5-3-4-6(10)8(7(5)13-2)14(9,11)12/h3-4H,1-2H3.
What are the key properties of 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride?
6-fluoro-2-methoxy-3-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 6-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).