ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate

C12H12FNO5S — CID 15158745

IUPACethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H12FNO5S/c1-2-18-10(15)7-14-20(16,17)11-6-8-4-3-5-9(13)12(8)19-11/h3-6,14H,2,7H2,1H3
InChIKeyRSINMFAKFDHNMM-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.41
Rot. Bonds5

About ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate

ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate (PubChem CID 15158745) has the molecular formula C12H12FNO5S and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
PubChem CID15158745
Molecular FormulaC12H12FNO5S
Molecular Weight301.30 g/mol
Exact Mass301.04
IUPAC Nameethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H12FNO5S/c1-2-18-10(15)7-14-20(16,17)11-6-8-4-3-5-9(13)12(8)19-11/h3-6,14H,2,7H2,1H3
InChIKeyRSINMFAKFDHNMM-UHFFFAOYSA-N
XLogP1.41
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate (CID 15158745) is ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate?
The InChIKey is RSINMFAKFDHNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO5S/c1-2-18-10(15)7-14-20(16,17)11-6-8-4-3-5-9(13)12(8)19-11/h3-6,14H,2,7H2,1H3.
What are the key properties of ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate?
ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate has a molecular weight of 301.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 15158745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).