N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride

C23H21FN4O4PdS — CID 44540975

IUPACN-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride
SMILESCc1ccnc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.F.[Pd].c1ccncc1
InChIInChI=1S/C18H15N3O4S.C5H5N.FH.Pd/c1-13-10-11-19-18(12-13)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(7-9-15)21(22)23;1-2-4-6-5-3-1;;/h2-12,20H,1H3;1-5H;1H;
InChIKeyZXRBOFFBDLFSHT-UHFFFAOYSA-N
MW574.93 g/mol
LogP5.00
Rot. Bonds5

About N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride

N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride (PubChem CID 44540975) has the molecular formula C23H21FN4O4PdS and a molecular weight of 574.93 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride
PubChem CID44540975
Molecular FormulaC23H21FN4O4PdS
Molecular Weight574.93 g/mol
Exact Mass574.03
IUPAC NameN-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride
SMILESCc1ccnc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.F.[Pd].c1ccncc1
InChIInChI=1S/C18H15N3O4S.C5H5N.FH.Pd/c1-13-10-11-19-18(12-13)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(7-9-15)21(22)23;1-2-4-6-5-3-1;;/h2-12,20H,1H3;1-5H;1H;
InChIKeyZXRBOFFBDLFSHT-UHFFFAOYSA-N
XLogP5.00
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.93
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
acetic acid;N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide;palladium;pyridine
CID 44540791
4-methyl-N-[2-[4-(4-nitrophenyl)quinazolin-2-yl]phenyl]benzenesulfonamide
CID 122211920
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(1-ethyl-5-nitrobenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 91823769
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
CID 75524313
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-4-nitrobenzenesulfonamide
CID 2810663

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride?
The IUPAC name of N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride (CID 44540975) is N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride.
What is the SMILES notation for N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride?
The canonical SMILES for N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride is Cc1ccnc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.F.[Pd].c1ccncc1.
What is the InChIKey of N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride?
The InChIKey is ZXRBOFFBDLFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S.C5H5N.FH.Pd/c1-13-10-11-19-18(12-13)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(7-9-15)21(22)23;1-2-4-6-5-3-1;;/h2-12,20H,1H3;1-5H;1H;.
What are the key properties of N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride?
N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride has a molecular weight of 574.93 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide;palladium;pyridine;hydrofluoride is sourced from PubChem (CID 44540975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).