(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride

C8H7Cl2FO3S — CID 84713468

IUPAC(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(Cl)c1F
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(9)7(8)11/h2-3H,4H2,1H3
InChIKeyGWIHETZFUFWJKJ-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride

(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84713468) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID84713468
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)ccc(Cl)c1F
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(9)7(8)11/h2-3H,4H2,1H3
InChIKeyGWIHETZFUFWJKJ-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-3-fluoro-2-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

(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
(5-Fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 83541916
(3,4-Difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 19876363
4-Chloro-2-(difluoromethoxy)-1-methylbenzene
CID 20472027
5-Chloro-1-fluoro-3-methoxy-2-methylbenzene
CID 53968941
4-Chloro-1-methyl-2-(trifluoromethoxy)benzene
CID 60039488
3-Chloro-2-fluoro-6-(1-methyleneethyl)anisole
CID 66969571
4-Chloro-3-fluoro-2-methoxy-1-(1-methylene-propyl)benzene
CID 69385347
1-But-2-en-2-yl-4-chloro-3-fluoro-2-methoxybenzene
CID 69387949
(6-Chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride
CID 87086422
[2-(4-Chloro-2-methoxyphenyl)cyclohexen-1-yl] trifluoromethanesulfonate
CID 87879239

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 84713468) is (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)ccc(Cl)c1F.
What is the InChIKey of (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is GWIHETZFUFWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-8-5(4-15(10,12)13)2-3-6(9)7(8)11/h2-3H,4H2,1H3.
What are the key properties of (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride?
(4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84713468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).