4-(4-sulfamoylphenoxy)butanoic acid

C10H13NO5S — CID 43164527

IUPAC4-(4-sulfamoylphenoxy)butanoic acid
SMILESNS(=O)(=O)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c11-17(14,15)9-5-3-8(4-6-9)16-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)(H2,11,14,15)
InChIKeyZTLKPQGWCBEQPQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.58
Rot. Bonds6

About 4-(4-sulfamoylphenoxy)butanoic acid

4-(4-sulfamoylphenoxy)butanoic acid (PubChem CID 43164527) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(4-sulfamoylphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(4-sulfamoylphenoxy)butanoic acid
PubChem CID43164527
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name4-(4-sulfamoylphenoxy)butanoic acid
SMILESNS(=O)(=O)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c11-17(14,15)9-5-3-8(4-6-9)16-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)(H2,11,14,15)
InChIKeyZTLKPQGWCBEQPQ-UHFFFAOYSA-N
XLogP0.58
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.58
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-(4-aminophenoxy)butanoic acid
CID 14451763
sodium 4-(11-carboxyundecoxy)benzenesulfonate
CID 154729596
2-(3-carboxypropoxy)-5-sulfamoylbenzoic acid
CID 43342335
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
4-[4-(4-methylsulfonylphenoxy)butanoylamino]butanoic acid
CID 119170534
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
6-(4-aminophenoxy)hexanoic acid
CID 3028577
2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
CID 167862946
4-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]butanoic acid
CID 119134959
4-[2-(4-aminophenoxy)ethylsulfonyl]butanoic acid
CID 82183011
2-[[2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetyl]amino]acetic acid
CID 119349966

Frequently Asked Questions

What is the IUPAC name of 4-(4-sulfamoylphenoxy)butanoic acid?
The IUPAC name of 4-(4-sulfamoylphenoxy)butanoic acid (CID 43164527) is 4-(4-sulfamoylphenoxy)butanoic acid.
What is the SMILES notation for 4-(4-sulfamoylphenoxy)butanoic acid?
The canonical SMILES for 4-(4-sulfamoylphenoxy)butanoic acid is NS(=O)(=O)c1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-(4-sulfamoylphenoxy)butanoic acid?
The InChIKey is ZTLKPQGWCBEQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c11-17(14,15)9-5-3-8(4-6-9)16-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)(H2,11,14,15).
What are the key properties of 4-(4-sulfamoylphenoxy)butanoic acid?
4-(4-sulfamoylphenoxy)butanoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-sulfamoylphenoxy)butanoic acid is sourced from PubChem (CID 43164527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).