methyl 2-(4-sulfamoylphenyl)acetate

C9H11NO4S — CID 63221924

IUPACmethyl 2-(4-sulfamoylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)6-7-2-4-8(5-3-7)15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyLQDKSCZYBNYPOS-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.05
Rot. Bonds3

About methyl 2-(4-sulfamoylphenyl)acetate

methyl 2-(4-sulfamoylphenyl)acetate (PubChem CID 63221924) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 2-(4-sulfamoylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-sulfamoylphenyl)acetate
PubChem CID63221924
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 2-(4-sulfamoylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)6-7-2-4-8(5-3-7)15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyLQDKSCZYBNYPOS-UHFFFAOYSA-N
XLogP0.05
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-sulfamoylphenyl)acetate?
The IUPAC name of methyl 2-(4-sulfamoylphenyl)acetate (CID 63221924) is methyl 2-(4-sulfamoylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-sulfamoylphenyl)acetate?
The canonical SMILES for methyl 2-(4-sulfamoylphenyl)acetate is COC(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 2-(4-sulfamoylphenyl)acetate?
The InChIKey is LQDKSCZYBNYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)6-7-2-4-8(5-3-7)15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13).
What are the key properties of methyl 2-(4-sulfamoylphenyl)acetate?
methyl 2-(4-sulfamoylphenyl)acetate has a molecular weight of 229.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-sulfamoylphenyl)acetate is sourced from PubChem (CID 63221924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).