2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel

C24H19NiO5PS2 — CID 174928340

IUPAC2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel
SMILESO=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1.[Ni]
InChIInChI=1S/C24H19O5PS2.Ni/c25-31(26,20-13-5-2-6-14-20)23-17-9-7-15-21(23)30(19-11-3-1-4-12-19)22-16-8-10-18-24(22)32(27,28)29;/h1-18H,(H,27,28,29);
InChIKeyARFVHPQJEWDJIV-UHFFFAOYSA-N
MW541.21 g/mol
LogP3.52
Rot. Bonds6

About 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel

2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel (PubChem CID 174928340) has the molecular formula C24H19NiO5PS2 and a molecular weight of 541.21 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel.

Molecular Properties

Compound Name2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel
PubChem CID174928340
Molecular FormulaC24H19NiO5PS2
Molecular Weight541.21 g/mol
Exact Mass539.98
IUPAC Name2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel
SMILESO=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1.[Ni]
InChIInChI=1S/C24H19O5PS2.Ni/c25-31(26,20-13-5-2-6-14-20)23-17-9-7-15-21(23)30(19-11-3-1-4-12-19)22-16-8-10-18-24(22)32(27,28)29;/h1-18H,(H,27,28,29);
InChIKeyARFVHPQJEWDJIV-UHFFFAOYSA-N
XLogP3.52
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diphenylphosphanylbenzene-1,2-disulfonic acid
CID 150435100
1,2-bis(benzenesulfonyl)benzene
CID 19980733
4-[phenyl-(4-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 4303689
2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
CID 175338229
2-bis(3,5-ditert-butylphenyl)phosphanylbenzenesulfonic acid
CID 59676295
2-dinaphthalen-2-ylphosphanylbenzenesulfonic acid
CID 87498654
2-[2-bis(2-sulfophenyl)phosphanylethyl-(2-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 19368965
azane;3-[phenyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 173085808
2-(4-formylphenyl)sulfonylbenzenesulfonic acid
CID 89361994
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
benzenesulfonic acid
CID 87196622

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel?
The IUPAC name of 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel (CID 174928340) is 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel.
What is the SMILES notation for 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel?
The canonical SMILES for 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel is O=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1.[Ni].
What is the InChIKey of 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel?
The InChIKey is ARFVHPQJEWDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O5PS2.Ni/c25-31(26,20-13-5-2-6-14-20)23-17-9-7-15-21(23)30(19-11-3-1-4-12-19)22-16-8-10-18-24(22)32(27,28)29;/h1-18H,(H,27,28,29);.
What are the key properties of 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel?
2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel has a molecular weight of 541.21 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonyl)phenyl]-phenylphosphanyl]benzenesulfonic acid;nickel is sourced from PubChem (CID 174928340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).