4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide

C9H5ClN2OS3 — CID 2769167

IUPAC4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
SMILESO=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN2OS3/c10-6-3-1-5(2-4-6)7(13)11-8-12-9(14)16-15-8/h1-4H,(H,11,12,13,14)
InChIKeyVZAYQLZISZPNJY-UHFFFAOYSA-N
MW288.81 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide

4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide (PubChem CID 2769167) has the molecular formula C9H5ClN2OS3 and a molecular weight of 288.81 g/mol. Its IUPAC name is 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
PubChem CID2769167
Molecular FormulaC9H5ClN2OS3
Molecular Weight288.81 g/mol
Exact Mass287.93
IUPAC Name4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
SMILESO=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN2OS3/c10-6-3-1-5(2-4-6)7(13)11-8-12-9(14)16-15-8/h1-4H,(H,11,12,13,14)
InChIKeyVZAYQLZISZPNJY-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide 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 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide (CID 2769167) is 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide is O=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The InChIKey is VZAYQLZISZPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS3/c10-6-3-1-5(2-4-6)7(13)11-8-12-9(14)16-15-8/h1-4H,(H,11,12,13,14).
What are the key properties of 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide has a molecular weight of 288.81 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide is sourced from PubChem (CID 2769167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).