(3-methylphenyl)methanesulfonyl chloride

C8H9ClO2S — CID 2760662

IUPAC(3-methylphenyl)methanesulfonyl chloride
SMILESCc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO2S/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyICTNKQWSHVQWGK-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.06
Rot. Bonds2

About (3-methylphenyl)methanesulfonyl chloride

(3-methylphenyl)methanesulfonyl chloride (PubChem CID 2760662) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is (3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methylphenyl)methanesulfonyl chloride
PubChem CID2760662
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name(3-methylphenyl)methanesulfonyl chloride
SMILESCc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H9ClO2S/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyICTNKQWSHVQWGK-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-methylphenyl)methanesulfonyl chloride (CID 2760662) is (3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-methylphenyl)methanesulfonyl chloride is Cc1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-methylphenyl)methanesulfonyl chloride?
The InChIKey is ICTNKQWSHVQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3.
What are the key properties of (3-methylphenyl)methanesulfonyl chloride?
(3-methylphenyl)methanesulfonyl chloride has a molecular weight of 204.68 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 2760662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).