3-nitro-10H-phenothiazine 5,5-dioxide

C12H8N2O4S — CID 10401211

IUPAC3-nitro-10H-phenothiazine 5,5-dioxide
SMILESO=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1N2
InChIInChI=1S/C12H8N2O4S/c15-14(16)8-5-6-10-12(7-8)19(17,18)11-4-2-1-3-9(11)13-10/h1-7,13H
InChIKeyIJUHJXKDBQNSDW-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.48
Rot. Bonds1

About 3-nitro-10H-phenothiazine 5,5-dioxide

3-nitro-10H-phenothiazine 5,5-dioxide (PubChem CID 10401211) has the molecular formula C12H8N2O4S and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-nitro-10H-phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name3-nitro-10H-phenothiazine 5,5-dioxide
PubChem CID10401211
Molecular FormulaC12H8N2O4S
Molecular Weight276.27 g/mol
Exact Mass276.02
IUPAC Name3-nitro-10H-phenothiazine 5,5-dioxide
SMILESO=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1N2
InChIInChI=1S/C12H8N2O4S/c15-14(16)8-5-6-10-12(7-8)19(17,18)11-4-2-1-3-9(11)13-10/h1-7,13H
InChIKeyIJUHJXKDBQNSDW-UHFFFAOYSA-N
XLogP2.48
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
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'}

Analyze 3-nitro-10H-phenothiazine 5,5-dioxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-10H-phenothiazine 5,5-dioxide?
The IUPAC name of 3-nitro-10H-phenothiazine 5,5-dioxide (CID 10401211) is 3-nitro-10H-phenothiazine 5,5-dioxide.
What is the SMILES notation for 3-nitro-10H-phenothiazine 5,5-dioxide?
The canonical SMILES for 3-nitro-10H-phenothiazine 5,5-dioxide is O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1N2.
What is the InChIKey of 3-nitro-10H-phenothiazine 5,5-dioxide?
The InChIKey is IJUHJXKDBQNSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4S/c15-14(16)8-5-6-10-12(7-8)19(17,18)11-4-2-1-3-9(11)13-10/h1-7,13H.
What are the key properties of 3-nitro-10H-phenothiazine 5,5-dioxide?
3-nitro-10H-phenothiazine 5,5-dioxide has a molecular weight of 276.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-10H-phenothiazine 5,5-dioxide is sourced from PubChem (CID 10401211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).