(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride

C8H7Cl2FO3S — CID 84809935

IUPAC(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(F)c(CS(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2FO3S/c1-14-5-2-7(9)6(8(11)3-5)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyMEBYHDPOTLVOTM-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride

(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84809935) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
PubChem CID84809935
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(F)c(CS(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2FO3S/c1-14-5-2-7(9)6(8(11)3-5)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyMEBYHDPOTLVOTM-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 (2-chloro-6-fluoro-4-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

1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride (CID 84809935) is (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride is COc1cc(F)c(CS(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is MEBYHDPOTLVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-5-2-7(9)6(8(11)3-5)4-15(10,12)13/h2-3H,4H2,1H3.
What are the key properties of (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
(2-chloro-6-fluoro-4-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 (2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84809935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).