3-(4-sulfamoylphenyl)propyl acetate

C11H15NO4S — CID 15707357

IUPAC3-(4-sulfamoylphenyl)propyl acetate
SMILESCC(=O)OCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15NO4S/c1-9(13)16-8-2-3-10-4-6-11(7-5-10)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeySUUOUMWENBLKDE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.83
Rot. Bonds5

About 3-(4-sulfamoylphenyl)propyl acetate

3-(4-sulfamoylphenyl)propyl acetate (PubChem CID 15707357) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(4-sulfamoylphenyl)propyl acetate.

Molecular Properties

Compound Name3-(4-sulfamoylphenyl)propyl acetate
PubChem CID15707357
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-(4-sulfamoylphenyl)propyl acetate
SMILESCC(=O)OCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15NO4S/c1-9(13)16-8-2-3-10-4-6-11(7-5-10)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeySUUOUMWENBLKDE-UHFFFAOYSA-N
XLogP0.83
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenyl)propyl acetate?
The IUPAC name of 3-(4-sulfamoylphenyl)propyl acetate (CID 15707357) is 3-(4-sulfamoylphenyl)propyl acetate.
What is the SMILES notation for 3-(4-sulfamoylphenyl)propyl acetate?
The canonical SMILES for 3-(4-sulfamoylphenyl)propyl acetate is CC(=O)OCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(4-sulfamoylphenyl)propyl acetate?
The InChIKey is SUUOUMWENBLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9(13)16-8-2-3-10-4-6-11(7-5-10)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15).
What are the key properties of 3-(4-sulfamoylphenyl)propyl acetate?
3-(4-sulfamoylphenyl)propyl acetate has a molecular weight of 257.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-sulfamoylphenyl)propyl acetate is sourced from PubChem (CID 15707357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).