4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide

C14H11NO3S — CID 56670316

IUPAC4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1
InChIInChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18)
InChIKeyARBNYMQQEDTZTO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.44
Rot. Bonds1

About 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide

4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide (PubChem CID 56670316) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide
PubChem CID56670316
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1
InChIInChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18)
InChIKeyARBNYMQQEDTZTO-UHFFFAOYSA-N
XLogP1.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide (CID 56670316) is 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C#Cc2cccc(O)c2)cc1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide?
The InChIKey is ARBNYMQQEDTZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18).
What are the key properties of 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide?
4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)ethynyl]benzenesulfonamide is sourced from PubChem (CID 56670316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).