7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde

C15H12N2O3S — CID 71764561

IUPAC7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
SMILESCc1cccc2c(C=O)cn(S(=O)(=O)c3ccccn3)c12
InChIInChI=1S/C15H12N2O3S/c1-11-5-4-6-13-12(10-18)9-17(15(11)13)21(19,20)14-7-2-3-8-16-14/h2-10H,1H3
InChIKeyRYJSTDQAIJNIOQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.39
Rot. Bonds3

About 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde

7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde (PubChem CID 71764561) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
PubChem CID71764561
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde
SMILESCc1cccc2c(C=O)cn(S(=O)(=O)c3ccccn3)c12
InChIInChI=1S/C15H12N2O3S/c1-11-5-4-6-13-12(10-18)9-17(15(11)13)21(19,20)14-7-2-3-8-16-14/h2-10H,1H3
InChIKeyRYJSTDQAIJNIOQ-UHFFFAOYSA-N
XLogP2.39
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde?
The IUPAC name of 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde (CID 71764561) is 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde.
What is the SMILES notation for 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde?
The canonical SMILES for 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde is Cc1cccc2c(C=O)cn(S(=O)(=O)c3ccccn3)c12.
What is the InChIKey of 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde?
The InChIKey is RYJSTDQAIJNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11-5-4-6-13-12(10-18)9-17(15(11)13)21(19,20)14-7-2-3-8-16-14/h2-10H,1H3.
What are the key properties of 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde?
7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde has a molecular weight of 300.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-pyridin-2-ylsulfonylindole-3-carbaldehyde is sourced from PubChem (CID 71764561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).