2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde

C15H11N3O3S — CID 23660685

IUPAC2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11N3O3S/c19-11-13-10-18(15(17-13)12-5-2-1-3-6-12)22(20,21)14-7-4-8-16-9-14/h1-11H
InChIKeyUIBZAXFBOPIUMH-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.99
Rot. Bonds4

About 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde

2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde (PubChem CID 23660685) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
PubChem CID23660685
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11N3O3S/c19-11-13-10-18(15(17-13)12-5-2-1-3-6-12)22(20,21)14-7-4-8-16-9-14/h1-11H
InChIKeyUIBZAXFBOPIUMH-UHFFFAOYSA-N
XLogP1.99
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde?
The IUPAC name of 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde (CID 23660685) is 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde?
The canonical SMILES for 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde is O=Cc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde?
The InChIKey is UIBZAXFBOPIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-11-13-10-18(15(17-13)12-5-2-1-3-6-12)22(20,21)14-7-4-8-16-9-14/h1-11H.
What are the key properties of 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde?
2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde has a molecular weight of 313.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde is sourced from PubChem (CID 23660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).