4-(phenylmethoxysulfamoyl)butanoic acid

C11H15NO5S — CID 64974140

IUPAC4-(phenylmethoxysulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-11(14)7-4-8-18(15,16)12-17-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2,(H,13,14)
InChIKeyPMERCJLDBDHEHN-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.90
Rot. Bonds8

About 4-(phenylmethoxysulfamoyl)butanoic acid

4-(phenylmethoxysulfamoyl)butanoic acid (PubChem CID 64974140) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(phenylmethoxysulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(phenylmethoxysulfamoyl)butanoic acid
PubChem CID64974140
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-(phenylmethoxysulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H15NO5S/c13-11(14)7-4-8-18(15,16)12-17-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2,(H,13,14)
InChIKeyPMERCJLDBDHEHN-UHFFFAOYSA-N
XLogP0.90
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(phenylmethoxysulfamoyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771
2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
CID 11610982
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
2-methyl-N-phenylmethoxypropane-1-sulfonamide
CID 64973774
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
3-[(6-oxo-6-phenylmethoxyhexyl)sulfamoyl]propanoic acid
CID 155596108
4-[(3-aminophenyl)methylsulfamoyl]butanoic acid
CID 54951855
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxysulfamoyl)butanoic acid?
The IUPAC name of 4-(phenylmethoxysulfamoyl)butanoic acid (CID 64974140) is 4-(phenylmethoxysulfamoyl)butanoic acid.
What is the SMILES notation for 4-(phenylmethoxysulfamoyl)butanoic acid?
The canonical SMILES for 4-(phenylmethoxysulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NOCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxysulfamoyl)butanoic acid?
The InChIKey is PMERCJLDBDHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c13-11(14)7-4-8-18(15,16)12-17-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2,(H,13,14).
What are the key properties of 4-(phenylmethoxysulfamoyl)butanoic acid?
4-(phenylmethoxysulfamoyl)butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxysulfamoyl)butanoic acid is sourced from PubChem (CID 64974140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).