5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid

C12H17NO5S — CID 43342428

IUPAC5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCCC(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17NO5S/c1-9-5-6-10(11(8-9)19(13,16)17)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWZISTQYDTXRPTF-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.28
Rot. Bonds7

About 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid

5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid (PubChem CID 43342428) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
PubChem CID43342428
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCCC(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17NO5S/c1-9-5-6-10(11(8-9)19(13,16)17)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyWZISTQYDTXRPTF-UHFFFAOYSA-N
XLogP1.28
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-methyl-2-sulfamoylphenoxy)pentanoic 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-hexoxy-5-methylbenzenesulfonamide
CID 43164499
2-(4-cyanobutoxy)-5-methylbenzenesulfonamide
CID 82921364
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
7-(2-chloro-5-methylphenoxy)heptanoic acid
CID 39369862
4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82914156
5-(4-bromo-2-methyl-6-sulfamoylphenoxy)pentanoic acid
CID 63214399
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid?
The IUPAC name of 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid (CID 43342428) is 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid.
What is the SMILES notation for 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid?
The canonical SMILES for 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid is Cc1ccc(OCCCCC(=O)O)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid?
The InChIKey is WZISTQYDTXRPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9-5-6-10(11(8-9)19(13,16)17)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid?
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid is sourced from PubChem (CID 43342428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).