4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole

C17H18N4O2S — CID 22015332

IUPAC4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
SMILESO=S(=O)(c1cccnc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-3-2-7-19-13-14)21-10-6-15-16(4-1-5-17(15)21)20-11-8-18-9-12-20/h1-7,10,13,18H,8-9,11-12H2
InChIKeyAFGGIAGEAUCCGB-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.68
Rot. Bonds3

About 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole

4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole (PubChem CID 22015332) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole.

Molecular Properties

Compound Name4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
PubChem CID22015332
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
SMILESO=S(=O)(c1cccnc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-3-2-7-19-13-14)21-10-6-15-16(4-1-5-17(15)21)20-11-8-18-9-12-20/h1-7,10,13,18H,8-9,11-12H2
InChIKeyAFGGIAGEAUCCGB-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole?
The IUPAC name of 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole (CID 22015332) is 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole.
What is the SMILES notation for 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole?
The canonical SMILES for 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole is O=S(=O)(c1cccnc1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole?
The InChIKey is AFGGIAGEAUCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,14-3-2-7-19-13-14)21-10-6-15-16(4-1-5-17(15)21)20-11-8-18-9-12-20/h1-7,10,13,18H,8-9,11-12H2.
What are the key properties of 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole?
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole has a molecular weight of 342.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole is sourced from PubChem (CID 22015332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).