1-benzofuran-2-yl ethanesulfonate

C10H10O4S — CID 143690561

IUPAC1-benzofuran-2-yl ethanesulfonate
SMILESCCS(=O)(=O)Oc1cc2ccccc2o1
InChIInChI=1S/C10H10O4S/c1-2-15(11,12)14-10-7-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3
InChIKeyDFKKMLUSZGYCKX-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.16
Rot. Bonds3

About 1-benzofuran-2-yl ethanesulfonate

1-benzofuran-2-yl ethanesulfonate (PubChem CID 143690561) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-benzofuran-2-yl ethanesulfonate.

Molecular Properties

Compound Name1-benzofuran-2-yl ethanesulfonate
PubChem CID143690561
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name1-benzofuran-2-yl ethanesulfonate
SMILESCCS(=O)(=O)Oc1cc2ccccc2o1
InChIInChI=1S/C10H10O4S/c1-2-15(11,12)14-10-7-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3
InChIKeyDFKKMLUSZGYCKX-UHFFFAOYSA-N
XLogP2.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-benzofuran-2-yl ethanesulfonate 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

1-benzofuran-2-yloxy(dioxido)borane
CID 86756846
2-prop-2-ynoxy-1-benzofuran
CID 20526766
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
(2-oxochromen-3-yl) 4-methylbenzenesulfonate
CID 88654841
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
[(E)-[2,2,2-trifluoro-1-(2-oxochromen-3-yl)ethylidene]amino] propane-1-sulfonate
CID 122472899
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
CID 110732957

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl ethanesulfonate?
The IUPAC name of 1-benzofuran-2-yl ethanesulfonate (CID 143690561) is 1-benzofuran-2-yl ethanesulfonate.
What is the SMILES notation for 1-benzofuran-2-yl ethanesulfonate?
The canonical SMILES for 1-benzofuran-2-yl ethanesulfonate is CCS(=O)(=O)Oc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl ethanesulfonate?
The InChIKey is DFKKMLUSZGYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-2-15(11,12)14-10-7-8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3.
What are the key properties of 1-benzofuran-2-yl ethanesulfonate?
1-benzofuran-2-yl ethanesulfonate has a molecular weight of 226.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl ethanesulfonate is sourced from PubChem (CID 143690561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).