10-(4-sulfophenyl)decanoic acid

C16H24O5S — CID 100942782

IUPAC10-(4-sulfophenyl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C16H24O5S/c17-16(18)9-7-5-3-1-2-4-6-8-14-10-12-15(13-11-14)22(19,20)21/h10-13H,1-9H2,(H,17,18)(H,19,20,21)
InChIKeyVCKAUONIDRWIGP-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.68
Rot. Bonds11

About 10-(4-sulfophenyl)decanoic acid

10-(4-sulfophenyl)decanoic acid (PubChem CID 100942782) has the molecular formula C16H24O5S and a molecular weight of 328.43 g/mol. Its IUPAC name is 10-(4-sulfophenyl)decanoic acid.

Molecular Properties

Compound Name10-(4-sulfophenyl)decanoic acid
PubChem CID100942782
Molecular FormulaC16H24O5S
Molecular Weight328.43 g/mol
Exact Mass328.13
IUPAC Name10-(4-sulfophenyl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C16H24O5S/c17-16(18)9-7-5-3-1-2-4-6-8-14-10-12-15(13-11-14)22(19,20)21/h10-13H,1-9H2,(H,17,18)(H,19,20,21)
InChIKeyVCKAUONIDRWIGP-UHFFFAOYSA-N
XLogP3.68
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 10-(4-sulfophenyl)decanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-sulfophenyl)decanoic acid?
The IUPAC name of 10-(4-sulfophenyl)decanoic acid (CID 100942782) is 10-(4-sulfophenyl)decanoic acid.
What is the SMILES notation for 10-(4-sulfophenyl)decanoic acid?
The canonical SMILES for 10-(4-sulfophenyl)decanoic acid is O=C(O)CCCCCCCCCc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 10-(4-sulfophenyl)decanoic acid?
The InChIKey is VCKAUONIDRWIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5S/c17-16(18)9-7-5-3-1-2-4-6-8-14-10-12-15(13-11-14)22(19,20)21/h10-13H,1-9H2,(H,17,18)(H,19,20,21).
What are the key properties of 10-(4-sulfophenyl)decanoic acid?
10-(4-sulfophenyl)decanoic acid has a molecular weight of 328.43 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-sulfophenyl)decanoic acid is sourced from PubChem (CID 100942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).