11-(benzenesulfonamido)undecanoic acid

C17H27NO4S — CID 13192131

IUPAC11-(benzenesulfonamido)undecanoic acid
SMILESO=C(O)CCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27NO4S/c19-17(20)14-10-5-3-1-2-4-6-11-15-18-23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2,(H,19,20)
InChIKeyWCBPJXGDWIUAHS-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.56
Rot. Bonds13

About 11-(benzenesulfonamido)undecanoic acid

11-(benzenesulfonamido)undecanoic acid (PubChem CID 13192131) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is 11-(benzenesulfonamido)undecanoic acid.

Molecular Properties

Compound Name11-(benzenesulfonamido)undecanoic acid
PubChem CID13192131
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name11-(benzenesulfonamido)undecanoic acid
SMILESO=C(O)CCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H27NO4S/c19-17(20)14-10-5-3-1-2-4-6-11-15-18-23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2,(H,19,20)
InChIKeyWCBPJXGDWIUAHS-UHFFFAOYSA-N
XLogP3.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(benzenesulfonamido)undecanoic acid?
The IUPAC name of 11-(benzenesulfonamido)undecanoic acid (CID 13192131) is 11-(benzenesulfonamido)undecanoic acid.
What is the SMILES notation for 11-(benzenesulfonamido)undecanoic acid?
The canonical SMILES for 11-(benzenesulfonamido)undecanoic acid is O=C(O)CCCCCCCCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 11-(benzenesulfonamido)undecanoic acid?
The InChIKey is WCBPJXGDWIUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c19-17(20)14-10-5-3-1-2-4-6-11-15-18-23(21,22)16-12-8-7-9-13-16/h7-9,12-13,18H,1-6,10-11,14-15H2,(H,19,20).
What are the key properties of 11-(benzenesulfonamido)undecanoic acid?
11-(benzenesulfonamido)undecanoic acid has a molecular weight of 341.47 g/mol, XLogP of 3.56, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(benzenesulfonamido)undecanoic acid is sourced from PubChem (CID 13192131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).