2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride

C15H15ClF3N3O2S — CID 120763965

IUPAC2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H14F3N3O2S.ClH/c16-12-6-11(7-13(17)15(12)18)24(22,23)21-5-4-20-9-14(21)10-2-1-3-19-8-10;/h1-3,6-8,14,20H,4-5,9H2;1H
InChIKeySOODEFGZDZOYRN-UHFFFAOYSA-N
MW393.82 g/mol
LogP2.26
Rot. Bonds3

About 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride

2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120763965) has the molecular formula C15H15ClF3N3O2S and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID120763965
Molecular FormulaC15H15ClF3N3O2S
Molecular Weight393.82 g/mol
Exact Mass393.05
IUPAC Name2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H14F3N3O2S.ClH/c16-12-6-11(7-13(17)15(12)18)24(22,23)21-5-4-20-9-14(21)10-2-1-3-19-8-10;/h1-3,6-8,14,20H,4-5,9H2;1H
InChIKeySOODEFGZDZOYRN-UHFFFAOYSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120876710
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride (CID 120763965) is 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is SOODEFGZDZOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S.ClH/c16-12-6-11(7-13(17)15(12)18)24(22,23)21-5-4-20-9-14(21)10-2-1-3-19-8-10;/h1-3,6-8,14,20H,4-5,9H2;1H.
What are the key properties of 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride?
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 393.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120763965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).