7-(chloromethyl)-5-methylsulfonyl-1-benzofuran

C10H9ClO3S — CID 143063932

IUPAC7-(chloromethyl)-5-methylsulfonyl-1-benzofuran
SMILESCS(=O)(=O)c1cc(CCl)c2occc2c1
InChIInChI=1S/C10H9ClO3S/c1-15(12,13)9-4-7-2-3-14-10(7)8(5-9)6-11/h2-5H,6H2,1H3
InChIKeyUPRYBVKNPZVOLX-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.58
Rot. Bonds2

About 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran

7-(chloromethyl)-5-methylsulfonyl-1-benzofuran (PubChem CID 143063932) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran.

Molecular Properties

Compound Name7-(chloromethyl)-5-methylsulfonyl-1-benzofuran
PubChem CID143063932
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name7-(chloromethyl)-5-methylsulfonyl-1-benzofuran
SMILESCS(=O)(=O)c1cc(CCl)c2occc2c1
InChIInChI=1S/C10H9ClO3S/c1-15(12,13)9-4-7-2-3-14-10(7)8(5-9)6-11/h2-5H,6H2,1H3
InChIKeyUPRYBVKNPZVOLX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran
CID 66893003
ethane;5-methylsulfonylfuro[2,3-b]pyridine
CID 156875738
(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methanol
CID 59225589
2,6-dichloro-4-methylsulfonylpyridine
CID 146177504
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
2-(1-benzofuran-7-yl)ethanesulfonyl chloride
CID 84704690
7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
CID 66893202
N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
CID 66893953
2-(chloromethyl)-1-methyl-5-methylsulfonylbenzimidazole
CID 70545396
5,7-dimethylfuro[2,3-c]pyran-6-ium
CID 15256760
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
4-chloro-2-(chloromethyl)-1-(4-methylsulfonylphenoxy)benzene
CID 114847043

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran?
The IUPAC name of 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran (CID 143063932) is 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran.
What is the SMILES notation for 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran?
The canonical SMILES for 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran is CS(=O)(=O)c1cc(CCl)c2occc2c1.
What is the InChIKey of 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran?
The InChIKey is UPRYBVKNPZVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-15(12,13)9-4-7-2-3-14-10(7)8(5-9)6-11/h2-5H,6H2,1H3.
What are the key properties of 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran?
7-(chloromethyl)-5-methylsulfonyl-1-benzofuran has a molecular weight of 244.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-5-methylsulfonyl-1-benzofuran is sourced from PubChem (CID 143063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).