ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate

C11H11ClO5S — CID 98113436

IUPACethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C11H11ClO5S/c1-2-16-11(13)10-6-7-5-8(18(12,14)15)3-4-9(7)17-10/h3-5,10H,2,6H2,1H3/t10-/m1/s1
InChIKeyVEEPMWPOOQQMAE-SNVBAGLBSA-N
MW290.72 g/mol
LogP1.48
Rot. Bonds3

About ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 98113436) has the molecular formula C11H11ClO5S and a molecular weight of 290.72 g/mol. Its IUPAC name is ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID98113436
Molecular FormulaC11H11ClO5S
Molecular Weight290.72 g/mol
Exact Mass290.00
IUPAC Nameethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C11H11ClO5S/c1-2-16-11(13)10-6-7-5-8(18(12,14)15)3-4-9(7)17-10/h3-5,10H,2,6H2,1H3/t10-/m1/s1
InChIKeyVEEPMWPOOQQMAE-SNVBAGLBSA-N
XLogP1.48
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate (CID 98113436) is ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1.
What is the InChIKey of ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is VEEPMWPOOQQMAE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClO5S/c1-2-16-11(13)10-6-7-5-8(18(12,14)15)3-4-9(7)17-10/h3-5,10H,2,6H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 290.72 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-chlorosulfonyl-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 98113436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).