1-phenyldiazenyl-4-(sulfinatoamino)benzene

C12H10N3O2S- — CID 22283664

IUPAC1-phenyldiazenyl-4-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3O2S/c16-18(17)15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H,(H,16,17)/p-1/b14-13+
InChIKeyWRCJDTODQFZBBB-BUHFOSPRSA-M
MW260.30 g/mol
LogP3.31
Rot. Bonds4

About 1-phenyldiazenyl-4-(sulfinatoamino)benzene

1-phenyldiazenyl-4-(sulfinatoamino)benzene (PubChem CID 22283664) has the molecular formula C12H10N3O2S- and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-phenyldiazenyl-4-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-phenyldiazenyl-4-(sulfinatoamino)benzene
PubChem CID22283664
Molecular FormulaC12H10N3O2S-
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name1-phenyldiazenyl-4-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3O2S/c16-18(17)15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H,(H,16,17)/p-1/b14-13+
InChIKeyWRCJDTODQFZBBB-BUHFOSPRSA-M
XLogP3.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyldiazenyl-4-(sulfinatoamino)benzene?
The IUPAC name of 1-phenyldiazenyl-4-(sulfinatoamino)benzene (CID 22283664) is 1-phenyldiazenyl-4-(sulfinatoamino)benzene.
What is the SMILES notation for 1-phenyldiazenyl-4-(sulfinatoamino)benzene?
The canonical SMILES for 1-phenyldiazenyl-4-(sulfinatoamino)benzene is O=S([O-])Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-phenyldiazenyl-4-(sulfinatoamino)benzene?
The InChIKey is WRCJDTODQFZBBB-BUHFOSPRSA-M. The full InChI is InChI=1S/C12H11N3O2S/c16-18(17)15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H,(H,16,17)/p-1/b14-13+.
What are the key properties of 1-phenyldiazenyl-4-(sulfinatoamino)benzene?
1-phenyldiazenyl-4-(sulfinatoamino)benzene has a molecular weight of 260.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldiazenyl-4-(sulfinatoamino)benzene is sourced from PubChem (CID 22283664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).