benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine

C26H19ClF3N3O2PdS — CID 58174331

IUPACbenzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine
SMILESCc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c1.Cl[Pd+].c1ccncc1
InChIInChI=1S/C21H14F3N2O2S.C5H5N.ClH.Pd/c1-13-10-16(21(22,23)24)12-17(11-13)29(27,28)26-18-6-2-4-14-7-8-15-5-3-9-25-20(15)19(14)18;1-2-4-6-5-3-1;;/h2-12H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySIEODLFRYCSREU-UHFFFAOYSA-M
MW636.39 g/mol
LogP7.88
Rot. Bonds3

About benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine

benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine (PubChem CID 58174331) has the molecular formula C26H19ClF3N3O2PdS and a molecular weight of 636.39 g/mol. Its IUPAC name is benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine.

Molecular Properties

Compound Namebenzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine
PubChem CID58174331
Molecular FormulaC26H19ClF3N3O2PdS
Molecular Weight636.39 g/mol
Exact Mass634.99
IUPAC Namebenzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine
SMILESCc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c1.Cl[Pd+].c1ccncc1
InChIInChI=1S/C21H14F3N2O2S.C5H5N.ClH.Pd/c1-13-10-16(21(22,23)24)12-17(11-13)29(27,28)26-18-6-2-4-14-7-8-15-5-3-9-25-20(15)19(14)18;1-2-4-6-5-3-1;;/h2-12H,1H3;1-5H;1H;/q-1;;;+2/p-1
InChIKeySIEODLFRYCSREU-UHFFFAOYSA-M
XLogP7.88
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.39
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine?
The IUPAC name of benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine (CID 58174331) is benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine.
What is the SMILES notation for benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine?
The canonical SMILES for benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine is Cc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2cccc3ccc4cccnc4c23)c1.Cl[Pd+].c1ccncc1.
What is the InChIKey of benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine?
The InChIKey is SIEODLFRYCSREU-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14F3N2O2S.C5H5N.ClH.Pd/c1-13-10-16(21(22,23)24)12-17(11-13)29(27,28)26-18-6-2-4-14-7-8-15-5-3-9-25-20(15)19(14)18;1-2-4-6-5-3-1;;/h2-12H,1H3;1-5H;1H;/q-1;;;+2/p-1.
What are the key properties of benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine?
benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine has a molecular weight of 636.39 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinolin-10-yl-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylazanide;chloropalladium(1+);pyridine is sourced from PubChem (CID 58174331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).