[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite

C18H14N3O3S- — CID 57041288

IUPAC[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite
SMILESO=S([O-])Oc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c22-25(23)24-18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23)/p-1/b21-20+
InChIKeyUNIXYQCFAIZNJR-QZQOTICOSA-M
MW352.40 g/mol
LogP5.02
Rot. Bonds6

About [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite

[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite (PubChem CID 57041288) has the molecular formula C18H14N3O3S- and a molecular weight of 352.40 g/mol. Its IUPAC name is [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite.

Molecular Properties

Compound Name[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite
PubChem CID57041288
Molecular FormulaC18H14N3O3S-
Molecular Weight352.40 g/mol
Exact Mass352.08
IUPAC Name[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite
SMILESO=S([O-])Oc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c22-25(23)24-18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23)/p-1/b21-20+
InChIKeyUNIXYQCFAIZNJR-QZQOTICOSA-M
XLogP5.02
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite 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

1-phenyldiazenyl-4-(sulfinatoamino)benzene
CID 22283664
CID 57354251
CID 57354251
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
sodium;N-phenyl-4-(phenyldiazenyl)aniline;sulfur trioxide
CID 159542158
4-N-(3-methoxyphenyl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine
CID 23482438
N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
CID 19606814
N-(methoxymethyl)-3-phenyldiazenylaniline
CID 23618912
3-[phenyl-(3-sulfinatooxyphenyl)phosphanyl]benzenesulfonate
CID 22897883
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

Frequently Asked Questions

What is the IUPAC name of [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite?
The IUPAC name of [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite (CID 57041288) is [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite.
What is the SMILES notation for [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite?
The canonical SMILES for [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite is O=S([O-])Oc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite?
The InChIKey is UNIXYQCFAIZNJR-QZQOTICOSA-M. The full InChI is InChI=1S/C18H15N3O3S/c22-25(23)24-18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23)/p-1/b21-20+.
What are the key properties of [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite?
[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite has a molecular weight of 352.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-anilinophenyl)diazenyl]phenyl] sulfite is sourced from PubChem (CID 57041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).