propyl 4-(4-sulfamoyloxyphenyl)benzoate

C16H17NO5S — CID 10472120

IUPACpropyl 4-(4-sulfamoyloxyphenyl)benzoate
SMILESCCCOC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-11-21-16(18)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-23(17,19)20/h3-10H,2,11H2,1H3,(H2,17,19,20)
InChIKeyFZUREHAEVOLWLG-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.50
Rot. Bonds6

About propyl 4-(4-sulfamoyloxyphenyl)benzoate

propyl 4-(4-sulfamoyloxyphenyl)benzoate (PubChem CID 10472120) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is propyl 4-(4-sulfamoyloxyphenyl)benzoate.

Molecular Properties

Compound Namepropyl 4-(4-sulfamoyloxyphenyl)benzoate
PubChem CID10472120
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namepropyl 4-(4-sulfamoyloxyphenyl)benzoate
SMILESCCCOC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-11-21-16(18)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-23(17,19)20/h3-10H,2,11H2,1H3,(H2,17,19,20)
InChIKeyFZUREHAEVOLWLG-UHFFFAOYSA-N
XLogP2.50
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-sulfamoyloxyphenyl)benzoate?
The IUPAC name of propyl 4-(4-sulfamoyloxyphenyl)benzoate (CID 10472120) is propyl 4-(4-sulfamoyloxyphenyl)benzoate.
What is the SMILES notation for propyl 4-(4-sulfamoyloxyphenyl)benzoate?
The canonical SMILES for propyl 4-(4-sulfamoyloxyphenyl)benzoate is CCCOC(=O)c1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1.
What is the InChIKey of propyl 4-(4-sulfamoyloxyphenyl)benzoate?
The InChIKey is FZUREHAEVOLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-11-21-16(18)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-23(17,19)20/h3-10H,2,11H2,1H3,(H2,17,19,20).
What are the key properties of propyl 4-(4-sulfamoyloxyphenyl)benzoate?
propyl 4-(4-sulfamoyloxyphenyl)benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-sulfamoyloxyphenyl)benzoate is sourced from PubChem (CID 10472120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).