5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde

C17H15NO5S — CID 11244880

IUPAC5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18/h3-11H,1-2H3
InChIKeySDBROVTUPVJMEY-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.71
Rot. Bonds5

About 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde

5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde (PubChem CID 11244880) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
PubChem CID11244880
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18/h3-11H,1-2H3
InChIKeySDBROVTUPVJMEY-UHFFFAOYSA-N
XLogP2.71
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-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 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde (CID 11244880) is 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde is COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The InChIKey is SDBROVTUPVJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18/h3-11H,1-2H3.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde has a molecular weight of 345.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 11244880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).