propyl 4-sulfamoylbenzoate

C10H13NO4S — CID 23274400

IUPACpropyl 4-sulfamoylbenzoate
SMILESCCCOC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h3-6H,2,7H2,1H3,(H2,11,13,14)
InChIKeyOXHAQAYCDYITKB-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.90
Rot. Bonds4

About propyl 4-sulfamoylbenzoate

propyl 4-sulfamoylbenzoate (PubChem CID 23274400) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is propyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Namepropyl 4-sulfamoylbenzoate
PubChem CID23274400
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namepropyl 4-sulfamoylbenzoate
SMILESCCCOC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h3-6H,2,7H2,1H3,(H2,11,13,14)
InChIKeyOXHAQAYCDYITKB-UHFFFAOYSA-N
XLogP0.90
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-sulfamoylbenzoate?
The IUPAC name of propyl 4-sulfamoylbenzoate (CID 23274400) is propyl 4-sulfamoylbenzoate.
What is the SMILES notation for propyl 4-sulfamoylbenzoate?
The canonical SMILES for propyl 4-sulfamoylbenzoate is CCCOC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of propyl 4-sulfamoylbenzoate?
The InChIKey is OXHAQAYCDYITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h3-6H,2,7H2,1H3,(H2,11,13,14).
What are the key properties of propyl 4-sulfamoylbenzoate?
propyl 4-sulfamoylbenzoate has a molecular weight of 243.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-sulfamoylbenzoate is sourced from PubChem (CID 23274400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).