3-ethyl-1-(4-methylphenyl)sulfonylindole

C17H17NO2S — CID 562902

IUPAC3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C17H17NO2S/c1-3-14-12-18(17-7-5-4-6-16(14)17)21(19,20)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyINOXSARWJAUSJC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.75
Rot. Bonds3

About 3-ethyl-1-(4-methylphenyl)sulfonylindole

3-ethyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 562902) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-ethyl-1-(4-methylphenyl)sulfonylindole
PubChem CID562902
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C17H17NO2S/c1-3-14-12-18(17-7-5-4-6-16(14)17)21(19,20)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyINOXSARWJAUSJC-UHFFFAOYSA-N
XLogP3.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(4-methylphenyl)sulfonylindole 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

Thiazole Orange
CID 6438345
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-(Phenylsulfonyl)-1H-indole
CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
Pyrrolidinylindole, 6
CID 10136837
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 3-ethyl-1-(4-methylphenyl)sulfonylindole (CID 562902) is 3-ethyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 3-ethyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 3-ethyl-1-(4-methylphenyl)sulfonylindole is CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 3-ethyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is INOXSARWJAUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-14-12-18(17-7-5-4-6-16(14)17)21(19,20)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-methylphenyl)sulfonylindole?
3-ethyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 299.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 562902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).