5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde

C24H16N2O6S2 — CID 173158227

IUPAC5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde
SMILESO=Cc1ncc(S(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H16N2O6S2/c27-16-19-24(34(31,32)21-13-7-8-14-25-21)22(23(28)17-9-3-1-4-10-17)20(15-26-19)33(29,30)18-11-5-2-6-12-18/h1-16H
InChIKeyJOIZJRNPSWRQES-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.19
Rot. Bonds7

About 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde

5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde (PubChem CID 173158227) has the molecular formula C24H16N2O6S2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde
PubChem CID173158227
Molecular FormulaC24H16N2O6S2
Molecular Weight492.53 g/mol
Exact Mass492.04
IUPAC Name5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde
SMILESO=Cc1ncc(S(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H16N2O6S2/c27-16-19-24(34(31,32)21-13-7-8-14-25-21)22(23(28)17-9-3-1-4-10-17)20(15-26-19)33(29,30)18-11-5-2-6-12-18/h1-16H
InChIKeyJOIZJRNPSWRQES-UHFFFAOYSA-N
XLogP3.19
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde?
The IUPAC name of 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde (CID 173158227) is 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde?
The canonical SMILES for 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde is O=Cc1ncc(S(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1S(=O)(=O)c1ccccn1.
What is the InChIKey of 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde?
The InChIKey is JOIZJRNPSWRQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6S2/c27-16-19-24(34(31,32)21-13-7-8-14-25-21)22(23(28)17-9-3-1-4-10-17)20(15-26-19)33(29,30)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde?
5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde has a molecular weight of 492.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-benzoyl-3-pyridin-2-ylsulfonylpyridine-2-carbaldehyde is sourced from PubChem (CID 173158227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).