1-(benzenesulfonyl)indole-2-carbaldehyde

C15H11NO3S — CID 2776223

IUPAC1-(benzenesulfonyl)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-11-13-10-12-6-4-5-9-15(12)16(13)20(18,19)14-7-2-1-3-8-14/h1-11H
InChIKeyNWVOBVXBWUGTTO-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.69
Rot. Bonds3

About 1-(benzenesulfonyl)indole-2-carbaldehyde

1-(benzenesulfonyl)indole-2-carbaldehyde (PubChem CID 2776223) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)indole-2-carbaldehyde
PubChem CID2776223
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name1-(benzenesulfonyl)indole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-11-13-10-12-6-4-5-9-15(12)16(13)20(18,19)14-7-2-1-3-8-14/h1-11H
InChIKeyNWVOBVXBWUGTTO-UHFFFAOYSA-N
XLogP2.69
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indole-2-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)indole-2-carbaldehyde (CID 2776223) is 1-(benzenesulfonyl)indole-2-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)indole-2-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)indole-2-carbaldehyde is O=Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)indole-2-carbaldehyde?
The InChIKey is NWVOBVXBWUGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-11-13-10-12-6-4-5-9-15(12)16(13)20(18,19)14-7-2-1-3-8-14/h1-11H.
What are the key properties of 1-(benzenesulfonyl)indole-2-carbaldehyde?
1-(benzenesulfonyl)indole-2-carbaldehyde has a molecular weight of 285.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indole-2-carbaldehyde is sourced from PubChem (CID 2776223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).