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

C17H17NO5S — CID 162413945

IUPACethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C17H17NO5S/c1-2-22-17(19)16-11-12-10-13(8-9-15(12)23-16)18-24(20,21)14-6-4-3-5-7-14/h3-10,16,18H,2,11H2,1H3
InChIKeyBUNZHQUYFABGPU-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.35
Rot. Bonds5

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

ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 162413945) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID162413945
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Nameethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C17H17NO5S/c1-2-22-17(19)16-11-12-10-13(8-9-15(12)23-16)18-24(20,21)14-6-4-3-5-7-14/h3-10,16,18H,2,11H2,1H3
InChIKeyBUNZHQUYFABGPU-UHFFFAOYSA-N
XLogP2.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate (CID 162413945) is ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O1.
What is the InChIKey of ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is BUNZHQUYFABGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-2-22-17(19)16-11-12-10-13(8-9-15(12)23-16)18-24(20,21)14-6-4-3-5-7-14/h3-10,16,18H,2,11H2,1H3.
What are the key properties of ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzenesulfonamido)-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 162413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).