(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride

C10H9ClO4S — CID 84710255

IUPAC(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)c2ccoc12
InChIInChI=1S/C10H9ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-5H,6H2,1H3
InChIKeyLZVRNDRGGKFGLU-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.51
Rot. Bonds3

About (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride

(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride (PubChem CID 84710255) has the molecular formula C10H9ClO4S and a molecular weight of 260.70 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
PubChem CID84710255
Molecular FormulaC10H9ClO4S
Molecular Weight260.70 g/mol
Exact Mass259.99
IUPAC Name(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)c2ccoc12
InChIInChI=1S/C10H9ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-5H,6H2,1H3
InChIKeyLZVRNDRGGKFGLU-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride?
The IUPAC name of (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride (CID 84710255) is (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride?
The canonical SMILES for (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride is COc1ccc(CS(=O)(=O)Cl)c2ccoc12.
What is the InChIKey of (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride?
The InChIKey is LZVRNDRGGKFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-5H,6H2,1H3.
What are the key properties of (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride?
(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride has a molecular weight of 260.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84710255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).