azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum

C13H15N4O5PtS-3 — CID 153281757

IUPACazanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
SMILESCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1.[NH2-].[NH2-].[Pt]
InChIInChI=1S/C13H11N2O5S.2H2N.Pt/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;;;/h2-9H,1H3;2*1H2;/q3*-1;
InChIKeyFTTYTXPCKUXOPJ-UHFFFAOYSA-N
MW534.43 g/mol
LogP4.78
Rot. Bonds5

About azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum

azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum (PubChem CID 153281757) has the molecular formula C13H15N4O5PtS-3 and a molecular weight of 534.43 g/mol. Its IUPAC name is azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum.

Molecular Properties

Compound Nameazanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
PubChem CID153281757
Molecular FormulaC13H15N4O5PtS-3
Molecular Weight534.43 g/mol
Exact Mass534.04
IUPAC Nameazanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
SMILESCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1.[NH2-].[NH2-].[Pt]
InChIInChI=1S/C13H11N2O5S.2H2N.Pt/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;;;/h2-9H,1H3;2*1H2;/q3*-1;
InChIKeyFTTYTXPCKUXOPJ-UHFFFAOYSA-N
XLogP4.78
TPSA167.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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N-methyl-4-nitro-2-phenoxyaniline
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CID 142985344
methanamine;methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid
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2-amino-2-(hydroxymethyl)propane-1,3-diol;methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid
CID 11684883
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
4-(2,4-dinitrophenoxy)-N-phenylaniline
CID 9281115
1-aminopropan-2-ol;methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid
CID 11554451
2-acetyloxybenzoic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 11329271
5-nitro-2-phenoxybenzoyl chloride
CID 21406549

Frequently Asked Questions

What is the IUPAC name of azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum?
The IUPAC name of azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum (CID 153281757) is azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum.
What is the SMILES notation for azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum?
The canonical SMILES for azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum is CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1.[NH2-].[NH2-].[Pt].
What is the InChIKey of azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum?
The InChIKey is FTTYTXPCKUXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O5S.2H2N.Pt/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;;;/h2-9H,1H3;2*1H2;/q3*-1;.
What are the key properties of azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum?
azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum has a molecular weight of 534.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum is sourced from PubChem (CID 153281757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).