2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride

C8H7Cl2FO3S — CID 84713480

IUPAC2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(F)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(11)6(9)8(7(4)14-2)15(10,12)13/h3H,1-2H3
InChIKeyFSNCQCDLMJXSOE-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride

2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride (PubChem CID 84713480) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
PubChem CID84713480
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
SMILESCOc1c(C)cc(F)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-4-3-5(11)6(9)8(7(4)14-2)15(10,12)13/h3H,1-2H3
InChIKeyFSNCQCDLMJXSOE-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-fluoro-6-methoxy-5-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

6-Fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 84700846
5-Fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 84700863
3-Chloro-2-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
CID 84713464
(4-Chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 84713468
(6-Chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 84713479
5-Chloro-4-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 84713481
2-Chloro-5-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
CID 84809936
(2-Chloro-3-fluoro-6-methoxy-5-methylphenyl)methanesulfonyl chloride
CID 117462844
(4-Chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
2-Chloro-4-methoxy-3-methylbenzene-1-sulfonyl fluoride
CID 165459302
(2-Chloro-3-fluoro-6-methoxyphenyl)methanesulfonyl chloride
CID 165869933
4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride (CID 84713480) is 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride is COc1c(C)cc(F)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
The InChIKey is FSNCQCDLMJXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-4-3-5(11)6(9)8(7(4)14-2)15(10,12)13/h3H,1-2H3.
What are the key properties of 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride?
2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84713480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).