methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate

C13H15NO5S — CID 7465301

IUPACmethyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
SMILESCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)OC
InChIInChI=1S/C13H15NO5S/c1-4-10-12(13(15)18-2)9-7-8(14-20(3,16)17)5-6-11(9)19-10/h5-7,14H,4H2,1-3H3
InChIKeyDKVJVGZZOITRPF-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.15
Rot. Bonds4

About methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate

methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate (PubChem CID 7465301) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
PubChem CID7465301
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Namemethyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
SMILESCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)OC
InChIInChI=1S/C13H15NO5S/c1-4-10-12(13(15)18-2)9-7-8(14-20(3,16)17)5-6-11(9)19-10/h5-7,14H,4H2,1-3H3
InChIKeyDKVJVGZZOITRPF-UHFFFAOYSA-N
XLogP2.15
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate (CID 7465301) is methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate is CCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate?
The InChIKey is DKVJVGZZOITRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-4-10-12(13(15)18-2)9-7-8(14-20(3,16)17)5-6-11(9)19-10/h5-7,14H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate?
methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 7465301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).