5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole

C21H24FN3O2S — CID 25024322

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeySQMKRTFGGLRJLD-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.15
Rot. Bonds5

About 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole

5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole (PubChem CID 25024322) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole
PubChem CID25024322
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeySQMKRTFGGLRJLD-UHFFFAOYSA-N
XLogP3.15
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole (CID 25024322) is 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole is CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The InChIKey is SQMKRTFGGLRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole?
5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole has a molecular weight of 401.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)sulfonylindole is sourced from PubChem (CID 25024322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).