1-(benzenesulfonyl)indole-6-carbaldehyde

C15H11NO3S — CID 10731848

IUPAC1-(benzenesulfonyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H11NO3S/c17-11-12-6-7-13-8-9-16(15(13)10-12)20(18,19)14-4-2-1-3-5-14/h1-11H
InChIKeyXWVXMNKMVDFYMO-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.69
Rot. Bonds3

About 1-(benzenesulfonyl)indole-6-carbaldehyde

1-(benzenesulfonyl)indole-6-carbaldehyde (PubChem CID 10731848) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)indole-6-carbaldehyde
PubChem CID10731848
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name1-(benzenesulfonyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H11NO3S/c17-11-12-6-7-13-8-9-16(15(13)10-12)20(18,19)14-4-2-1-3-5-14/h1-11H
InChIKeyXWVXMNKMVDFYMO-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-6-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)indole-6-carbaldehyde (CID 10731848) is 1-(benzenesulfonyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)indole-6-carbaldehyde is O=Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfonyl)indole-6-carbaldehyde?
The InChIKey is XWVXMNKMVDFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-11-12-6-7-13-8-9-16(15(13)10-12)20(18,19)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 1-(benzenesulfonyl)indole-6-carbaldehyde?
1-(benzenesulfonyl)indole-6-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-6-carbaldehyde is sourced from PubChem (CID 10731848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).