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

C19H21NO3S — CID 143660405

IUPAC5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCOc1ccc2c(c1)c(CC)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-15-13-20(19-11-8-16(23-5-2)12-18(15)19)24(21,22)17-9-6-14(3)7-10-17/h6-13H,4-5H2,1-3H3
InChIKeyMESGCBHHNBDMFV-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.15
Rot. Bonds5

About 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole

5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 143660405) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
PubChem CID143660405
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
SMILESCCOc1ccc2c(c1)c(CC)cn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-15-13-20(19-11-8-16(23-5-2)12-18(15)19)24(21,22)17-9-6-14(3)7-10-17/h6-13H,4-5H2,1-3H3
InChIKeyMESGCBHHNBDMFV-UHFFFAOYSA-N
XLogP4.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-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

3-[5-ethoxy-1-(4-ethylphenyl)sulfonylindol-3-yl]propanal
CID 89159823
3-[1-(benzenesulfonyl)-5-ethoxyindol-3-yl]propanoic acid
CID 18449977
3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonylindol-3-yl]propanoic acid
CID 18449973
3-[1-(4-acetylphenyl)sulfonyl-5-ethoxyindol-3-yl]propanoic acid
CID 58838223
3-[1-(4-ethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 71213005
6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
CID 59444295
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole (CID 143660405) is 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole is CCOc1ccc2c(c1)c(CC)cn2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is MESGCBHHNBDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-4-15-13-20(19-11-8-16(23-5-2)12-18(15)19)24(21,22)17-9-6-14(3)7-10-17/h6-13H,4-5H2,1-3H3.
What are the key properties of 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole?
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 343.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 143660405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).