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

C17H17NO6S — CID 1287122

IUPACmethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO6S/c1-23-17(20)14-9-7-13(8-10-14)12-24-16(19)11-18-25(21,22)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3
InChIKeyJPMNOCFBEUFQHX-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.49
Rot. Bonds7

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

methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate (PubChem CID 1287122) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
PubChem CID1287122
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Namemethyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO6S/c1-23-17(20)14-9-7-13(8-10-14)12-24-16(19)11-18-25(21,22)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3
InChIKeyJPMNOCFBEUFQHX-UHFFFAOYSA-N
XLogP1.49
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate (CID 1287122) is methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
The InChIKey is JPMNOCFBEUFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-23-17(20)14-9-7-13(8-10-14)12-24-16(19)11-18-25(21,22)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3.
What are the key properties of methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate?
methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate has a molecular weight of 363.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(benzenesulfonamido)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 1287122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).