2-hydroxy-5-(octylsulfamoyl)benzoic acid

C15H23NO5S — CID 139755423

IUPAC2-hydroxy-5-(octylsulfamoyl)benzoic acid
SMILESCCCCCCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-10-16-22(20,21)12-8-9-14(17)13(11-12)15(18)19/h8-9,11,16-17H,2-7,10H2,1H3,(H,18,19)
InChIKeySNOOVGYDMSDAEI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.73
Rot. Bonds10

About 2-hydroxy-5-(octylsulfamoyl)benzoic acid

2-hydroxy-5-(octylsulfamoyl)benzoic acid (PubChem CID 139755423) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-hydroxy-5-(octylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(octylsulfamoyl)benzoic acid
PubChem CID139755423
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name2-hydroxy-5-(octylsulfamoyl)benzoic acid
SMILESCCCCCCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-10-16-22(20,21)12-8-9-14(17)13(11-12)15(18)19/h8-9,11,16-17H,2-7,10H2,1H3,(H,18,19)
InChIKeySNOOVGYDMSDAEI-UHFFFAOYSA-N
XLogP2.73
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-hydroxy-5-(octylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(octylsulfamoyl)benzoic acid (CID 139755423) is 2-hydroxy-5-(octylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(octylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(octylsulfamoyl)benzoic acid is CCCCCCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(octylsulfamoyl)benzoic acid?
The InChIKey is SNOOVGYDMSDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-10-16-22(20,21)12-8-9-14(17)13(11-12)15(18)19/h8-9,11,16-17H,2-7,10H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-5-(octylsulfamoyl)benzoic acid?
2-hydroxy-5-(octylsulfamoyl)benzoic acid has a molecular weight of 329.42 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(octylsulfamoyl)benzoic acid is sourced from PubChem (CID 139755423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).