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

C15H11ClO3S — CID 66893003

IUPAC5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran
SMILESO=S(=O)(c1ccccc1)c1cc(CCl)c2occc2c1
InChIInChI=1S/C15H11ClO3S/c16-10-12-9-14(8-11-6-7-19-15(11)12)20(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyKIVRIPZBZHQYKU-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.00
Rot. Bonds3

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

5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran (PubChem CID 66893003) has the molecular formula C15H11ClO3S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran
PubChem CID66893003
Molecular FormulaC15H11ClO3S
Molecular Weight306.77 g/mol
Exact Mass306.01
IUPAC Name5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran
SMILESO=S(=O)(c1ccccc1)c1cc(CCl)c2occc2c1
InChIInChI=1S/C15H11ClO3S/c16-10-12-9-14(8-11-6-7-19-15(11)12)20(17,18)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyKIVRIPZBZHQYKU-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.00
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

7-(chloromethyl)-5-methylsulfonyl-1-benzofuran
CID 143063932
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
7-bromo-5-(4-methylphenyl)sulfonyl-1-benzofuran
CID 66893202
2-(1-benzofuran-7-yl)ethanesulfonyl chloride
CID 84704690
4-(benzenesulfonyl)-1,2-bis(bromomethyl)benzene
CID 130298857
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
benzenesulfonylbenzene;formonitrile
CID 174749173
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
N-(2-methylphenyl)-7-(piperidin-4-ylmethyl)-1-benzofuran-5-sulfonamide
CID 66893953

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran?
The IUPAC name of 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran (CID 66893003) is 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran.
What is the SMILES notation for 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran?
The canonical SMILES for 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran is O=S(=O)(c1ccccc1)c1cc(CCl)c2occc2c1.
What is the InChIKey of 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran?
The InChIKey is KIVRIPZBZHQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3S/c16-10-12-9-14(8-11-6-7-19-15(11)12)20(17,18)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran?
5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran has a molecular weight of 306.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-7-(chloromethyl)-1-benzofuran is sourced from PubChem (CID 66893003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).