3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal

C24H21NO5S — CID 89073080

IUPAC3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal
SMILESCOc1ccc2c(c1)c(CCC=O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21NO5S/c1-29-20-12-13-24-23(16-20)18(7-6-14-26)17-25(24)31(27,28)22-11-5-10-21(15-22)30-19-8-3-2-4-9-19/h2-5,8-17H,6-7H2,1H3
InChIKeyVFVCPRFVKMSYJR-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.81
Rot. Bonds8

About 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal

3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal (PubChem CID 89073080) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal.

Molecular Properties

Compound Name3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal
PubChem CID89073080
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Name3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal
SMILESCOc1ccc2c(c1)c(CCC=O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H21NO5S/c1-29-20-12-13-24-23(16-20)18(7-6-14-26)17-25(24)31(27,28)22-11-5-10-21(15-22)30-19-8-3-2-4-9-19/h2-5,8-17H,6-7H2,1H3
InChIKeyVFVCPRFVKMSYJR-UHFFFAOYSA-N
XLogP4.81
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(3-chloro-4-methoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanal
CID 89159769
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
CID 21258558
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
3-[5-ethoxy-1-(4-ethylphenyl)sulfonylindol-3-yl]propanal
CID 89159823
3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonylindol-3-yl]propanoic acid
CID 18449973
3-[1-(3,4-dimethylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 142993192
bis[2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1-(dimethylamino)ethyl] oxalate
CID 118703867
3-[1-(4-ethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 71213005
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
3-[1-(benzenesulfonyl)-5-ethoxyindol-3-yl]propanoic acid
CID 18449977
3-[5-methoxy-1-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonylindol-3-yl]propanoic acid
CID 89376158

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal?
The IUPAC name of 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal (CID 89073080) is 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal.
What is the SMILES notation for 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal?
The canonical SMILES for 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal is COc1ccc2c(c1)c(CCC=O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal?
The InChIKey is VFVCPRFVKMSYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-29-20-12-13-24-23(16-20)18(7-6-14-26)17-25(24)31(27,28)22-11-5-10-21(15-22)30-19-8-3-2-4-9-19/h2-5,8-17H,6-7H2,1H3.
What are the key properties of 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal?
3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal has a molecular weight of 435.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal is sourced from PubChem (CID 89073080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).