prop-2-enyl 4-sulfamoylbenzoate

C10H11NO4S — CID 11536043

IUPACprop-2-enyl 4-sulfamoylbenzoate
SMILESC=CCOC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h2-6H,1,7H2,(H2,11,13,14)
InChIKeyVWKMDRWBZTWKNM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.68
Rot. Bonds4

About prop-2-enyl 4-sulfamoylbenzoate

prop-2-enyl 4-sulfamoylbenzoate (PubChem CID 11536043) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is prop-2-enyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-sulfamoylbenzoate
PubChem CID11536043
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Nameprop-2-enyl 4-sulfamoylbenzoate
SMILESC=CCOC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h2-6H,1,7H2,(H2,11,13,14)
InChIKeyVWKMDRWBZTWKNM-UHFFFAOYSA-N
XLogP0.68
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-sulfamoylbenzoate?
The IUPAC name of prop-2-enyl 4-sulfamoylbenzoate (CID 11536043) is prop-2-enyl 4-sulfamoylbenzoate.
What is the SMILES notation for prop-2-enyl 4-sulfamoylbenzoate?
The canonical SMILES for prop-2-enyl 4-sulfamoylbenzoate is C=CCOC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of prop-2-enyl 4-sulfamoylbenzoate?
The InChIKey is VWKMDRWBZTWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h2-6H,1,7H2,(H2,11,13,14).
What are the key properties of prop-2-enyl 4-sulfamoylbenzoate?
prop-2-enyl 4-sulfamoylbenzoate has a molecular weight of 241.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-sulfamoylbenzoate is sourced from PubChem (CID 11536043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).