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

C8H7Cl2FO3S — CID 87086422

IUPAC(6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(Cl)c(CS(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7Cl2FO3S/c1-14-7-3-2-6(9)5(8(7)11)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyLCIASYMAYPWWQP-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride

(6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 87086422) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride
PubChem CID87086422
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1ccc(Cl)c(CS(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7Cl2FO3S/c1-14-7-3-2-6(9)5(8(7)11)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyLCIASYMAYPWWQP-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

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Related Compounds

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(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
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(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
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1-Chloro-4-ethoxy-3-fluoro-2-vinylbenzene
CID 10798114
1-Chloro-2-(chloromethyl)-3-fluoro-4-methoxybenzene
CID 167728984
1-Chloro-4-(difluoromethoxy)-2-methylbenzene
CID 2376848
1-Chloro-2-methyl-4-(trifluoromethoxy)benzene
CID 12513081
1-Chloro-5-fluoro-4-methoxy-2-propylbenzene
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(2-Chloro-6-fluoro-3-methoxyphenyl)methanesulfonyl chloride
CID 84809931
S-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl] ethanethioate
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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride (CID 87086422) is (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride is COc1ccc(Cl)c(CS(=O)(=O)Cl)c1F.
What is the InChIKey of (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is LCIASYMAYPWWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-7-3-2-6(9)5(8(7)11)4-15(10,12)13/h2-3H,4H2,1H3.
What are the key properties of (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride?
(6-chloro-2-fluoro-3-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 (6-chloro-2-fluoro-3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 87086422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).