(3-methoxyphenyl)methanesulfonyl chloride

C8H9ClO3S — CID 23211153

IUPAC(3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO3S/c1-12-8-4-2-3-7(5-8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKeyHIBDAKCYUPOBNR-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.76
Rot. Bonds3

About (3-methoxyphenyl)methanesulfonyl chloride

(3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 23211153) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is (3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methoxyphenyl)methanesulfonyl chloride
PubChem CID23211153
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name(3-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO3S/c1-12-8-4-2-3-7(5-8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKeyHIBDAKCYUPOBNR-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3-methoxyphenyl)methanesulfonyl chloride (CID 23211153) is (3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-methoxyphenyl)methanesulfonyl chloride is COc1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is HIBDAKCYUPOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-12-8-4-2-3-7(5-8)6-13(9,10)11/h2-5H,6H2,1H3.
What are the key properties of (3-methoxyphenyl)methanesulfonyl chloride?
(3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 23211153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).