2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde

C18H17NO3S — CID 4220459

IUPAC2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCCS(=O)(=O)c1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C18H17NO3S/c1-3-23(21,22)16-6-4-14(5-7-16)17-11-15-10-13(2)8-9-19(15)18(17)12-20/h4-12H,3H2,1-2H3
InChIKeyJPONSSUQGHTETD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde

2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde (PubChem CID 4220459) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
PubChem CID4220459
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCCS(=O)(=O)c1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C18H17NO3S/c1-3-23(21,22)16-6-4-14(5-7-16)17-11-15-10-13(2)8-9-19(15)18(17)12-20/h4-12H,3H2,1-2H3
InChIKeyJPONSSUQGHTETD-UHFFFAOYSA-N
XLogP3.52
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethylsulfonylphenyl)-7-methylindolizine-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

Related Compounds

2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
7-methyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 4615625
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
7-methyl-2-(5-methylfuran-2-yl)indolizine-3-carbaldehyde
CID 3805643
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
1,5-dimethyl-3-(4-methylphenyl)pyrrole-2-carbaldehyde
CID 84679814
3-(4-ethylsulfonylphenyl)-4-phenylphenol
CID 67689499
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde (CID 4220459) is 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde is CCS(=O)(=O)c1ccc(-c2cc3cc(C)ccn3c2C=O)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde?
The InChIKey is JPONSSUQGHTETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-3-23(21,22)16-6-4-14(5-7-16)17-11-15-10-13(2)8-9-19(15)18(17)12-20/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde?
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde has a molecular weight of 327.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 4220459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).