methyl 2-(benzenesulfonamido)acetate

C9H11NO4S — CID 5149288

IUPACmethyl 2-(benzenesulfonamido)acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-10-15(12,13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyQKASBYGZWRFVMK-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.14
Rot. Bonds4

About methyl 2-(benzenesulfonamido)acetate

methyl 2-(benzenesulfonamido)acetate (PubChem CID 5149288) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Namemethyl 2-(benzenesulfonamido)acetate
PubChem CID5149288
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 2-(benzenesulfonamido)acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-10-15(12,13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyQKASBYGZWRFVMK-UHFFFAOYSA-N
XLogP0.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzenesulfonamido)acetate?
The IUPAC name of methyl 2-(benzenesulfonamido)acetate (CID 5149288) is methyl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for methyl 2-(benzenesulfonamido)acetate?
The canonical SMILES for methyl 2-(benzenesulfonamido)acetate is COC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-(benzenesulfonamido)acetate?
The InChIKey is QKASBYGZWRFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)7-10-15(12,13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of methyl 2-(benzenesulfonamido)acetate?
methyl 2-(benzenesulfonamido)acetate has a molecular weight of 229.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 5149288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).