1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde

C15H10FNO3S — CID 86618242

IUPAC1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde
SMILESO=Cc1cc(F)cc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10FNO3S/c16-12-8-11(10-18)14-6-7-17(15(14)9-12)21(19,20)13-4-2-1-3-5-13/h1-10H
InChIKeyOXYHPQBHDCKQAD-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.83
Rot. Bonds3

About 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde

1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde (PubChem CID 86618242) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde
PubChem CID86618242
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde
SMILESO=Cc1cc(F)cc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10FNO3S/c16-12-8-11(10-18)14-6-7-17(15(14)9-12)21(19,20)13-4-2-1-3-5-13/h1-10H
InChIKeyOXYHPQBHDCKQAD-UHFFFAOYSA-N
XLogP2.83
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.83
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)-6-fluoroindole-4-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde (CID 86618242) is 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde is O=Cc1cc(F)cc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde?
The InChIKey is OXYHPQBHDCKQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-12-8-11(10-18)14-6-7-17(15(14)9-12)21(19,20)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde?
1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde has a molecular weight of 303.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde is sourced from PubChem (CID 86618242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).