3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

C23H29N3O2S — CID 23652635

IUPAC3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyQDYGSCKGDACLLR-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.14
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 23652635) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID23652635
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3
InChIKeyQDYGSCKGDACLLR-UHFFFAOYSA-N
XLogP4.14
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (CID 23652635) is 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is QDYGSCKGDACLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 411.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 23652635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).