12-(benzenesulfonamido)dodecanoic acid

C18H29NO4S — CID 15052911

IUPAC12-(benzenesulfonamido)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H29NO4S/c20-18(21)15-11-6-4-2-1-3-5-7-12-16-19-24(22,23)17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2,(H,20,21)
InChIKeyORLWTOZJYPZGAO-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.95
Rot. Bonds14

About 12-(benzenesulfonamido)dodecanoic acid

12-(benzenesulfonamido)dodecanoic acid (PubChem CID 15052911) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is 12-(benzenesulfonamido)dodecanoic acid.

Molecular Properties

Compound Name12-(benzenesulfonamido)dodecanoic acid
PubChem CID15052911
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name12-(benzenesulfonamido)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H29NO4S/c20-18(21)15-11-6-4-2-1-3-5-7-12-16-19-24(22,23)17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2,(H,20,21)
InChIKeyORLWTOZJYPZGAO-UHFFFAOYSA-N
XLogP3.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-(benzenesulfonamido)dodecanoic 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 12-(benzenesulfonamido)dodecanoic acid?
The IUPAC name of 12-(benzenesulfonamido)dodecanoic acid (CID 15052911) is 12-(benzenesulfonamido)dodecanoic acid.
What is the SMILES notation for 12-(benzenesulfonamido)dodecanoic acid?
The canonical SMILES for 12-(benzenesulfonamido)dodecanoic acid is O=C(O)CCCCCCCCCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 12-(benzenesulfonamido)dodecanoic acid?
The InChIKey is ORLWTOZJYPZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c20-18(21)15-11-6-4-2-1-3-5-7-12-16-19-24(22,23)17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2,(H,20,21).
What are the key properties of 12-(benzenesulfonamido)dodecanoic acid?
12-(benzenesulfonamido)dodecanoic acid has a molecular weight of 355.50 g/mol, XLogP of 3.95, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(benzenesulfonamido)dodecanoic acid is sourced from PubChem (CID 15052911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).