ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate

C18H19NO6S — CID 1299274

IUPACethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO6S/c1-2-24-18(21)15-10-8-14(9-11-15)13-25-17(20)12-19-26(22,23)16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3
InChIKeyFVLXZATUDWPYFX-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.88
Rot. Bonds8

About ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate

ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate (PubChem CID 1299274) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
PubChem CID1299274
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Nameethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO6S/c1-2-24-18(21)15-10-8-14(9-11-15)13-25-17(20)12-19-26(22,23)16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3
InChIKeyFVLXZATUDWPYFX-UHFFFAOYSA-N
XLogP1.88
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The IUPAC name of ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate (CID 1299274) is ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate is CCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The InChIKey is FVLXZATUDWPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-2-24-18(21)15-10-8-14(9-11-15)13-25-17(20)12-19-26(22,23)16-6-4-3-5-7-16/h3-11,19H,2,12-13H2,1H3.
What are the key properties of ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate has a molecular weight of 377.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 1299274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).