carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium

C22H24N2O4PdS2-4 — CID 138966805

IUPACcarbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[CH3-].[CH3-].[Pd]
InChIInChI=1S/C20H18N2O4S2.2CH3.Pd/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;;;/h3-14H,1-2H3;2*1H3;/q-2;2*-1;
InChIKeyHXFCNOLVJDVPDR-UHFFFAOYSA-N
MW551.00 g/mol
LogP5.99
Rot. Bonds6

About carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium

carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium (PubChem CID 138966805) has the molecular formula C22H24N2O4PdS2-4 and a molecular weight of 551.00 g/mol. Its IUPAC name is carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium.

Molecular Properties

Compound Namecarbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
PubChem CID138966805
Molecular FormulaC22H24N2O4PdS2-4
Molecular Weight551.00 g/mol
Exact Mass550.02
IUPAC Namecarbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[CH3-].[CH3-].[Pd]
InChIInChI=1S/C20H18N2O4S2.2CH3.Pd/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;;;/h3-14H,1-2H3;2*1H3;/q-2;2*-1;
InChIKeyHXFCNOLVJDVPDR-UHFFFAOYSA-N
XLogP5.99
TPSA96.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.00
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
CID 134876566
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
CID 54679765
(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
CID 177423613
(4-methylphenyl)sulfonyl-(5-phenyl-1,2-thiazol-2-ium-2-yl)azanide
CID 14823799
[2-(4-dimethylsulfonio-5-oxo-5-phenylpent-1-en-3-yl)phenyl]-(4-methylphenyl)sulfonylazanide
CID 177487463
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
CID 134855500
imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
CID 25041566
(3-methylbenzimidazol-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide
CID 16727041
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718

Frequently Asked Questions

What is the IUPAC name of carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium?
The IUPAC name of carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium (CID 138966805) is carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium.
What is the SMILES notation for carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium?
The canonical SMILES for carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium is Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[CH3-].[CH3-].[Pd].
What is the InChIKey of carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium?
The InChIKey is HXFCNOLVJDVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2.2CH3.Pd/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;;;/h3-14H,1-2H3;2*1H3;/q-2;2*-1;.
What are the key properties of carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium?
carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium has a molecular weight of 551.00 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium is sourced from PubChem (CID 138966805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).