(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride

C10H9ClO3S — CID 84704680

IUPAC(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCc1cc2c(CS(=O)(=O)Cl)cccc2o1
InChIInChI=1S/C10H9ClO3S/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-5H,6H2,1H3
InChIKeyZEJZEJTXTKCBAH-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.81
Rot. Bonds2

About (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride

(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride (PubChem CID 84704680) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride
PubChem CID84704680
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCc1cc2c(CS(=O)(=O)Cl)cccc2o1
InChIInChI=1S/C10H9ClO3S/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-5H,6H2,1H3
InChIKeyZEJZEJTXTKCBAH-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride?
The IUPAC name of (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride (CID 84704680) is (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride?
The canonical SMILES for (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride is Cc1cc2c(CS(=O)(=O)Cl)cccc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride?
The InChIKey is ZEJZEJTXTKCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-5H,6H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride?
(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride has a molecular weight of 244.70 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84704680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).