1-(4-bromophenyl)sulfonylindole-3-carbaldehyde

C15H10BrNO3S — CID 87179756

IUPAC1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C15H10BrNO3S/c16-12-5-7-13(8-6-12)21(19,20)17-9-11(10-18)14-3-1-2-4-15(14)17/h1-10H
InChIKeyVQBRIHZGQWTWEA-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde

1-(4-bromophenyl)sulfonylindole-3-carbaldehyde (PubChem CID 87179756) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
PubChem CID87179756
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Name1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C15H10BrNO3S/c16-12-5-7-13(8-6-12)21(19,20)17-9-11(10-18)14-3-1-2-4-15(14)17/h1-10H
InChIKeyVQBRIHZGQWTWEA-UHFFFAOYSA-N
XLogP3.45
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.45
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-(4-bromophenyl)sulfonylindole-3-carbaldehyde?
The IUPAC name of 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde (CID 87179756) is 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde?
The canonical SMILES for 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde is O=Cc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde?
The InChIKey is VQBRIHZGQWTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c16-12-5-7-13(8-6-12)21(19,20)17-9-11(10-18)14-3-1-2-4-15(14)17/h1-10H.
What are the key properties of 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde?
1-(4-bromophenyl)sulfonylindole-3-carbaldehyde has a molecular weight of 364.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 87179756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).