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N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride

C16H20ClF3N4O2S — CID 120778493

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccc2ncccc12
InChIInChI=1S/C16H19F3N4O2S.ClH/c17-16(18,19)15(23-9-7-20-8-10-23)11-22-26(24,25)14-5-1-4-13-12(14)3-2-6-21-13;/h1-6,15,20,22H,7-11H2;1H
InChIKeyJYKWDDXWDXYZSU-UHFFFAOYSA-N
MW424.88 g/mol
LogP1.77
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride (PubChem CID 120778493) has the molecular formula C16H20ClF3N4O2S and a molecular weight of 424.88 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride
PubChem CID120778493
Molecular FormulaC16H20ClF3N4O2S
Molecular Weight424.88 g/mol
Exact Mass424.09
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccc2ncccc12
InChIInChI=1S/C16H19F3N4O2S.ClH/c17-16(18,19)15(23-9-7-20-8-10-23)11-22-26(24,25)14-5-1-4-13-12(14)3-2-6-21-13;/h1-6,15,20,22H,7-11H2;1H
InChIKeyJYKWDDXWDXYZSU-UHFFFAOYSA-N
XLogP1.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride (CID 120778493) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccc2ncccc12.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride?
The InChIKey is JYKWDDXWDXYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S.ClH/c17-16(18,19)15(23-9-7-20-8-10-23)11-22-26(24,25)14-5-1-4-13-12(14)3-2-6-21-13;/h1-6,15,20,22H,7-11H2;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride has a molecular weight of 424.88 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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