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

C17H15NO5S — CID 11187035

IUPAC6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-8-5-14(23-2)9-17(16)18/h3-11H,1-2H3
InChIKeyXRHHHAQRDGBMCK-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.71
Rot. Bonds5

About 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde

6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde (PubChem CID 11187035) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
PubChem CID11187035
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H15NO5S/c1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-8-5-14(23-2)9-17(16)18/h3-11H,1-2H3
InChIKeyXRHHHAQRDGBMCK-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde (CID 11187035) is 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde is COc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
The InChIKey is XRHHHAQRDGBMCK-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)16-8-5-14(23-2)9-17(16)18/h3-11H,1-2H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde?
6-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 6-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 11187035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).