(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride

C10H11ClO4S — CID 84710861

IUPAC(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
SMILESCOc1cc2c(cc1CS(=O)(=O)Cl)COC2
InChIInChI=1S/C10H11ClO4S/c1-14-10-3-8-5-15-4-7(8)2-9(10)6-16(11,12)13/h2-3H,4-6H2,1H3
InChIKeyFKUHHNVEGGXNOM-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.79
Rot. Bonds3

About (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride

(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride (PubChem CID 84710861) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
PubChem CID84710861
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
SMILESCOc1cc2c(cc1CS(=O)(=O)Cl)COC2
InChIInChI=1S/C10H11ClO4S/c1-14-10-3-8-5-15-4-7(8)2-9(10)6-16(11,12)13/h2-3H,4-6H2,1H3
InChIKeyFKUHHNVEGGXNOM-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
CID 84710860
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
CID 84713994
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117408990
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84710255

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride?
The IUPAC name of (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride (CID 84710861) is (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride?
The canonical SMILES for (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride is COc1cc2c(cc1CS(=O)(=O)Cl)COC2.
What is the InChIKey of (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride?
The InChIKey is FKUHHNVEGGXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-14-10-3-8-5-15-4-7(8)2-9(10)6-16(11,12)13/h2-3H,4-6H2,1H3.
What are the key properties of (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride?
(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 84710861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).