N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide

C25H16N2O3S — CID 175843147

IUPACN-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#Cc1cccnc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C25H16N2O3S/c28-31(29,24-13-5-10-21-20-9-2-4-12-23(20)30-25(21)24)27-22-11-3-1-8-19(22)15-14-18-7-6-16-26-17-18/h1-13,16-17,27H
InChIKeySLNAEJRMHPMKPS-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.18
Rot. Bonds3

About N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide

N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide (PubChem CID 175843147) has the molecular formula C25H16N2O3S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide
PubChem CID175843147
Molecular FormulaC25H16N2O3S
Molecular Weight424.48 g/mol
Exact Mass424.09
IUPAC NameN-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#Cc1cccnc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C25H16N2O3S/c28-31(29,24-13-5-10-21-20-9-2-4-12-23(20)30-25(21)24)27-22-11-3-1-8-19(22)15-14-18-7-6-16-26-17-18/h1-13,16-17,27H
InChIKeySLNAEJRMHPMKPS-UHFFFAOYSA-N
XLogP5.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide?
The IUPAC name of N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide (CID 175843147) is N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide.
What is the SMILES notation for N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide?
The canonical SMILES for N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide is O=S(=O)(Nc1ccccc1C#Cc1cccnc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide?
The InChIKey is SLNAEJRMHPMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O3S/c28-31(29,24-13-5-10-21-20-9-2-4-12-23(20)30-25(21)24)27-22-11-3-1-8-19(22)15-14-18-7-6-16-26-17-18/h1-13,16-17,27H.
What are the key properties of N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide?
N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide has a molecular weight of 424.48 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-ylethynyl)phenyl]dibenzofuran-4-sulfonamide is sourced from PubChem (CID 175843147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).