(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride

C10H9ClO3S — CID 84704683

IUPAC(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride
SMILESCc1cc2ccc(CS(=O)(=O)Cl)cc2o1
InChIInChI=1S/C10H9ClO3S/c1-7-4-9-3-2-8(5-10(9)14-7)6-15(11,12)13/h2-5H,6H2,1H3
InChIKeyNQASZBRCYJQIHU-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.81
Rot. Bonds2

About (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride

(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride (PubChem CID 84704683) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride
PubChem CID84704683
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride
SMILESCc1cc2ccc(CS(=O)(=O)Cl)cc2o1
InChIInChI=1S/C10H9ClO3S/c1-7-4-9-3-2-8(5-10(9)14-7)6-15(11,12)13/h2-5H,6H2,1H3
InChIKeyNQASZBRCYJQIHU-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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Related Compounds

ethyl 6-(chlorosulfonylmethyl)-1-benzofuran-2-carboxylate
CID 169244684
1-benzofuran-5-ylmethanesulfonyl chloride
CID 53436020
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
(2-methyl-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84704680
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
5-(chlorosulfonylmethyl)-2-methylbenzoic acid
CID 117374912
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
2-methyl-1-benzofuran-6-thiol
CID 142143307
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride?
The IUPAC name of (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride (CID 84704683) is (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride?
The canonical SMILES for (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride is Cc1cc2ccc(CS(=O)(=O)Cl)cc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride?
The InChIKey is NQASZBRCYJQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-7-4-9-3-2-8(5-10(9)14-7)6-15(11,12)13/h2-5H,6H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride?
(2-methyl-1-benzofuran-6-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-6-yl)methanesulfonyl chloride is sourced from PubChem (CID 84704683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).