2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine

C16H17F4N5O2S — CID 133371245

IUPAC2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine
SMILESO=S(=O)(CCNc1c(F)c(F)nc(F)c1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17F4N5O2S/c17-12-14(13(18)16(20)23-15(12)19)22-5-10-28(26,27)25-8-6-24(7-9-25)11-3-1-2-4-21-11/h1-4H,5-10H2,(H,22,23)
InChIKeyIPIKQWAVBCYQGA-UHFFFAOYSA-N
MW419.40 g/mol
LogP1.60
Rot. Bonds6

About 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine (PubChem CID 133371245) has the molecular formula C16H17F4N5O2S and a molecular weight of 419.40 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine
PubChem CID133371245
Molecular FormulaC16H17F4N5O2S
Molecular Weight419.40 g/mol
Exact Mass419.10
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine
SMILESO=S(=O)(CCNc1c(F)c(F)nc(F)c1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17F4N5O2S/c17-12-14(13(18)16(20)23-15(12)19)22-5-10-28(26,27)25-8-6-24(7-9-25)11-3-1-2-4-21-11/h1-4H,5-10H2,(H,22,23)
InChIKeyIPIKQWAVBCYQGA-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
1-(3-methylsulfanylpropyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076706
1-oxido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-1-ium-2-carboxamide
CID 60512015
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine (CID 133371245) is 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine is O=S(=O)(CCNc1c(F)c(F)nc(F)c1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine?
The InChIKey is IPIKQWAVBCYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O2S/c17-12-14(13(18)16(20)23-15(12)19)22-5-10-28(26,27)25-8-6-24(7-9-25)11-3-1-2-4-21-11/h1-4H,5-10H2,(H,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine has a molecular weight of 419.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-4-amine is sourced from PubChem (CID 133371245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).