(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride

C10H11ClO4S — CID 84807123

IUPAC(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)c2c1OCC2
InChIInChI=1S/C10H11ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-3H,4-6H2,1H3
InChIKeyUSVIUVWIZHEVID-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.70
Rot. Bonds3

About (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride

(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride (PubChem CID 84807123) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
PubChem CID84807123
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)c2c1OCC2
InChIInChI=1S/C10H11ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-3H,4-6H2,1H3
InChIKeyUSVIUVWIZHEVID-UHFFFAOYSA-N
XLogP1.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile
CID 84777196
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649
(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84710255
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964
sodium 4-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)-4-oxobutanoate
CID 23691736
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
2-amino-2-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)ethanol
CID 84780583
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride?
The IUPAC name of (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride (CID 84807123) is (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride?
The canonical SMILES for (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride is COc1ccc(CS(=O)(=O)Cl)c2c1OCC2.
What is the InChIKey of (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride?
The InChIKey is USVIUVWIZHEVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-14-9-3-2-7(6-16(11,12)13)8-4-5-15-10(8)9/h2-3H,4-6H2,1H3.
What are the key properties of (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride?
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84807123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).