1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

C15H15Cl3FN3O2S — CID 120763688

IUPAC1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H14Cl2FN3O2S.ClH/c16-11-3-4-13(14(17)15(11)18)24(22,23)21-7-6-20-9-12(21)10-2-1-5-19-8-10;/h1-5,8,12,20H,6-7,9H2;1H
InChIKeyXKJWUPZCCDIVCE-UHFFFAOYSA-N
MW426.73 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride

1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120763688) has the molecular formula C15H15Cl3FN3O2S and a molecular weight of 426.73 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120763688
Molecular FormulaC15H15Cl3FN3O2S
Molecular Weight426.73 g/mol
Exact Mass424.99
IUPAC Name1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H14Cl2FN3O2S.ClH/c16-11-3-4-13(14(17)15(11)18)24(22,23)21-7-6-20-9-12(21)10-2-1-5-19-8-10;/h1-5,8,12,20H,6-7,9H2;1H
InChIKeyXKJWUPZCCDIVCE-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.73
LogP ≤ 53.28
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-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764128
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
CID 120764072
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763650
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride (CID 120763688) is 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is XKJWUPZCCDIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O2S.ClH/c16-11-3-4-13(14(17)15(11)18)24(22,23)21-7-6-20-9-12(21)10-2-1-5-19-8-10;/h1-5,8,12,20H,6-7,9H2;1H.
What are the key properties of 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride?
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 426.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120763688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).