N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride

C14H23ClF3N5O2S — CID 120876983

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H22F3N5O2S.ClH/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13;/h10-11,18-19H,1-9H2;1H
InChIKeyVMCHPMZGTROBAZ-UHFFFAOYSA-N
MW417.89 g/mol
LogP0.76
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride (PubChem CID 120876983) has the molecular formula C14H23ClF3N5O2S and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
PubChem CID120876983
Molecular FormulaC14H23ClF3N5O2S
Molecular Weight417.89 g/mol
Exact Mass417.12
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2
InChIInChI=1S/C14H22F3N5O2S.ClH/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13;/h10-11,18-19H,1-9H2;1H
InChIKeyVMCHPMZGTROBAZ-UHFFFAOYSA-N
XLogP0.76
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride (CID 120876983) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cn2c(n1)CCCC2.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
The InChIKey is VMCHPMZGTROBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2S.ClH/c15-14(16,17)11(21-7-4-18-5-8-21)9-19-25(23,24)13-10-22-6-2-1-3-12(22)20-13;/h10-11,18-19H,1-9H2;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 417.89 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120876983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).