5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran

C11H11BrO3S — CID 117175888

IUPAC5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H11BrO3S/c1-2-16(13,14)7-10-6-8-5-9(12)3-4-11(8)15-10/h3-6H,2,7H2,1H3
InChIKeyPSTOZCLQCSOMTL-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran

5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran (PubChem CID 117175888) has the molecular formula C11H11BrO3S and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
PubChem CID117175888
Molecular FormulaC11H11BrO3S
Molecular Weight303.18 g/mol
Exact Mass301.96
IUPAC Name5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
SMILESCCS(=O)(=O)Cc1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H11BrO3S/c1-2-16(13,14)7-10-6-8-5-9(12)3-4-11(8)15-10/h3-6H,2,7H2,1H3
InChIKeyPSTOZCLQCSOMTL-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
2-(ethylsulfonylmethyl)-6-methyl-1-benzofuran
CID 117185797
6-bromo-3-ethylchromen-2-one
CID 53243812
2-(5-bromo-1-benzofuran-2-yl)ethyl 2-(2-methylpropylsulfonyl)acetate
CID 78883119
6-bromo-3-propylchromen-2-one
CID 57275772
(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
CID 165028818
6-bromo-3-methylchromen-2-one
CID 14956088
1-[(5-bromo-1-benzofuran-2-yl)methyl]-3-(fluoromethyl)azetidine;ethane
CID 177232062
5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
CID 13004045
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran (CID 117175888) is 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran is CCS(=O)(=O)Cc1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran?
The InChIKey is PSTOZCLQCSOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3S/c1-2-16(13,14)7-10-6-8-5-9(12)3-4-11(8)15-10/h3-6H,2,7H2,1H3.
What are the key properties of 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran?
5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran has a molecular weight of 303.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran is sourced from PubChem (CID 117175888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).