4-(2-phenoxyethylsulfamoyl)butanoic acid

C12H17NO5S — CID 55012765

IUPAC4-(2-phenoxyethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C12H17NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15)
InChIKeyOVXABGLMWJBXDS-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.85
Rot. Bonds9

About 4-(2-phenoxyethylsulfamoyl)butanoic acid

4-(2-phenoxyethylsulfamoyl)butanoic acid (PubChem CID 55012765) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(2-phenoxyethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-phenoxyethylsulfamoyl)butanoic acid
PubChem CID55012765
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-(2-phenoxyethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C12H17NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15)
InChIKeyOVXABGLMWJBXDS-UHFFFAOYSA-N
XLogP0.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
9-phenoxynonanoic acid
CID 15887638
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
3-(4-phenoxybutylsulfonyl)propanoic acid
CID 82180539
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
CID 60953631
2-(2-phenoxyethylamino)acetic acid
CID 13236095
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2-phenoxyethylsulfamoyl)butanoic acid (CID 55012765) is 4-(2-phenoxyethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2-phenoxyethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2-phenoxyethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 4-(2-phenoxyethylsulfamoyl)butanoic acid?
The InChIKey is OVXABGLMWJBXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c14-12(15)7-4-10-19(16,17)13-8-9-18-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15).
What are the key properties of 4-(2-phenoxyethylsulfamoyl)butanoic acid?
4-(2-phenoxyethylsulfamoyl)butanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethylsulfamoyl)butanoic acid is sourced from PubChem (CID 55012765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).