2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole

C24H23NO3S — CID 71528711

IUPAC2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(C(C)c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-17-8-14-22(15-9-17)29(26,27)25-23-7-5-4-6-20(23)16-24(25)18(2)19-10-12-21(28-3)13-11-19/h4-16,18H,1-3H3
InChIKeyPTROFLFAOPDPKA-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.35
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole

2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole (PubChem CID 71528711) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole
PubChem CID71528711
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(C(C)c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-17-8-14-22(15-9-17)29(26,27)25-23-7-5-4-6-20(23)16-24(25)18(2)19-10-12-21(28-3)13-11-19/h4-16,18H,1-3H3
InChIKeyPTROFLFAOPDPKA-UHFFFAOYSA-N
XLogP5.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-methoxyphenyl)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

5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
Indoxole
CID 21129
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 363314
MS-245
CID 6918542
4-butyl-N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825398
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825399
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-phenylbenzene-1-sulfonamide
CID 24825401
N-{2-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825406
4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10429739
3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 10452212
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
5-Methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56683496

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole (CID 71528711) is 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole is COc1ccc(C(C)c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole?
The InChIKey is PTROFLFAOPDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-17-8-14-22(15-9-17)29(26,27)25-23-7-5-4-6-20(23)16-24(25)18(2)19-10-12-21(28-3)13-11-19/h4-16,18H,1-3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole?
2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole has a molecular weight of 405.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 71528711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).