2-(1-benzofuran-7-yl)ethanesulfonyl chloride

C10H9ClO3S — CID 84704690

IUPAC2-(1-benzofuran-7-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cccc2ccoc12
InChIInChI=1S/C10H9ClO3S/c11-15(12,13)7-5-9-3-1-2-8-4-6-14-10(8)9/h1-4,6H,5,7H2
InChIKeyQSLOVECDAXOWDT-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.54
Rot. Bonds3

About 2-(1-benzofuran-7-yl)ethanesulfonyl chloride

2-(1-benzofuran-7-yl)ethanesulfonyl chloride (PubChem CID 84704690) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-(1-benzofuran-7-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1-benzofuran-7-yl)ethanesulfonyl chloride
PubChem CID84704690
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name2-(1-benzofuran-7-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cccc2ccoc12
InChIInChI=1S/C10H9ClO3S/c11-15(12,13)7-5-9-3-1-2-8-4-6-14-10(8)9/h1-4,6H,5,7H2
InChIKeyQSLOVECDAXOWDT-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-7-yl)ethanesulfonyl chloride 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

7-butyl-1-benzofuran
CID 68789907
7-pentyl-1-benzofuran
CID 90916397
7-prop-2-enyl-1-benzofuran
CID 130133071
2-(1-methylindol-7-yl)ethanesulfonyl chloride
CID 84709242
2-(2-fluorophenyl)ethanesulfonyl chloride
CID 2759096
3-(1-benzofuran-7-yl)-2-hydroxypropanoic acid
CID 141399368
[4-(1-benzofuran-7-yl)-2-methylbutan-2-yl]carbamic acid
CID 175312979
2-(1-methylindazol-7-yl)ethanesulfonyl chloride
CID 84709598
2-(2-methyl-1,3-benzoxazol-4-yl)ethanesulfonyl chloride
CID 84709935
2-isoquinolin-4-ylethanesulfonyl chloride
CID 84805050
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol
CID 130411346

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-7-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(1-benzofuran-7-yl)ethanesulfonyl chloride (CID 84704690) is 2-(1-benzofuran-7-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1-benzofuran-7-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1-benzofuran-7-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1cccc2ccoc12.
What is the InChIKey of 2-(1-benzofuran-7-yl)ethanesulfonyl chloride?
The InChIKey is QSLOVECDAXOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c11-15(12,13)7-5-9-3-1-2-8-4-6-14-10(8)9/h1-4,6H,5,7H2.
What are the key properties of 2-(1-benzofuran-7-yl)ethanesulfonyl chloride?
2-(1-benzofuran-7-yl)ethanesulfonyl chloride has a molecular weight of 244.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-7-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84704690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).