1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride

C14H23ClF3N5O3S — CID 120778345

IUPAC1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C14H22F3N5O3S.ClH/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11;/h7,9,11,13,18,20H,1-6,8,10H2;1H
InChIKeyZSVZKJOSPSMTIB-UHFFFAOYSA-N
MW433.88 g/mol
LogP0.38
Rot. Bonds6

About 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride

1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120778345) has the molecular formula C14H23ClF3N5O3S and a molecular weight of 433.88 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120778345
Molecular FormulaC14H23ClF3N5O3S
Molecular Weight433.88 g/mol
Exact Mass433.12
IUPAC Name1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C14H22F3N5O3S.ClH/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11;/h7,9,11,13,18,20H,1-6,8,10H2;1H
InChIKeyZSVZKJOSPSMTIB-UHFFFAOYSA-N
XLogP0.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120778345) is 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is ZSVZKJOSPSMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O3S.ClH/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11;/h7,9,11,13,18,20H,1-6,8,10H2;1H.
What are the key properties of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride?
1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 433.88 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120778345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).