sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide

C18H14N3NaO3S — CID 159542158

IUPACsodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide
SMILESO=S(=O)=O.[Na+].[c-]1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H14N3.Na.O3S/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17;;1-4(2)3/h1-5,7-14,19H;;/q-1;+1;/b21-20+;;
InChIKeyUZHUTVNMFIXNOD-SERMZQFOSA-N
MW375.39 g/mol
LogP1.65
Rot. Bonds4

About sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide

sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide (PubChem CID 159542158) has the molecular formula C18H14N3NaO3S and a molecular weight of 375.39 g/mol. Its IUPAC name is sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide.

Molecular Properties

Compound Namesodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide
PubChem CID159542158
Molecular FormulaC18H14N3NaO3S
Molecular Weight375.39 g/mol
Exact Mass375.07
IUPAC Namesodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide
SMILESO=S(=O)=O.[Na+].[c-]1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H14N3.Na.O3S/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17;;1-4(2)3/h1-5,7-14,19H;;/q-1;+1;/b21-20+;;
InChIKeyUZHUTVNMFIXNOD-SERMZQFOSA-N
XLogP1.65
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite
CID 57041288
1-phenyldiazenyl-4-(sulfinatoamino)benzene
CID 22283664
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
CID 57354251
CID 57354251
4-[(1-methylpyridin-1-ium-3-yl)diazenyl]-N-phenylaniline
CID 18720656
2-[(4-anilinophenyl)diazenyl]benzoic acid
CID 101005663
N-phenyl-4-(sulfonylamino)aniline;toluene
CID 88633160
sodium (4-phenyldiazenylanilino)methanesulfonic acid
CID 54606161
N-chloro-4-phenyldiazenylaniline
CID 88790195
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
CID 19606814
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101453864

Frequently Asked Questions

What is the IUPAC name of sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide?
The IUPAC name of sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide (CID 159542158) is sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide.
What is the SMILES notation for sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide?
The canonical SMILES for sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide is O=S(=O)=O.[Na+].[c-]1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide?
The InChIKey is UZHUTVNMFIXNOD-SERMZQFOSA-N. The full InChI is InChI=1S/C18H14N3.Na.O3S/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17;;1-4(2)3/h1-5,7-14,19H;;/q-1;+1;/b21-20+;;.
What are the key properties of sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide?
sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide has a molecular weight of 375.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide is sourced from PubChem (CID 159542158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).