2-(N-sulfinoanilino)dibenzofuran

C18H13NO3S — CID 57088845

IUPAC2-(N-sulfinoanilino)dibenzofuran
SMILESO=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21)
InChIKeyOASZVFOWMCTFMB-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.86
Rot. Bonds3

About 2-(N-sulfinoanilino)dibenzofuran

2-(N-sulfinoanilino)dibenzofuran (PubChem CID 57088845) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(N-sulfinoanilino)dibenzofuran.

Molecular Properties

Compound Name2-(N-sulfinoanilino)dibenzofuran
PubChem CID57088845
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name2-(N-sulfinoanilino)dibenzofuran
SMILESO=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21)
InChIKeyOASZVFOWMCTFMB-UHFFFAOYSA-N
XLogP4.86
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-(N-sulfinoanilino)dibenzofuran 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 2-(N-sulfinoanilino)dibenzofuran?
The IUPAC name of 2-(N-sulfinoanilino)dibenzofuran (CID 57088845) is 2-(N-sulfinoanilino)dibenzofuran.
What is the SMILES notation for 2-(N-sulfinoanilino)dibenzofuran?
The canonical SMILES for 2-(N-sulfinoanilino)dibenzofuran is O=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(N-sulfinoanilino)dibenzofuran?
The InChIKey is OASZVFOWMCTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21).
What are the key properties of 2-(N-sulfinoanilino)dibenzofuran?
2-(N-sulfinoanilino)dibenzofuran has a molecular weight of 323.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-sulfinoanilino)dibenzofuran is sourced from PubChem (CID 57088845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).