2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol

C13H7Cl2N3OS — CID 779544

IUPAC2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccc2nsnc12
InChIInChI=1S/C13H7Cl2N3OS/c14-8-4-7(13(19)9(15)5-8)6-16-10-2-1-3-11-12(10)18-20-17-11/h1-6,19H/b16-6+
InChIKeyDLVMJJUTKLUYHR-OMCISZLKSA-N
MW324.19 g/mol
LogP4.45
Rot. Bonds2

About 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol

2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol (PubChem CID 779544) has the molecular formula C13H7Cl2N3OS and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol
PubChem CID779544
Molecular FormulaC13H7Cl2N3OS
Molecular Weight324.19 g/mol
Exact Mass322.97
IUPAC Name2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cccc2nsnc12
InChIInChI=1S/C13H7Cl2N3OS/c14-8-4-7(13(19)9(15)5-8)6-16-10-2-1-3-11-12(10)18-20-17-11/h1-6,19H/b16-6+
InChIKeyDLVMJJUTKLUYHR-OMCISZLKSA-N
XLogP4.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol 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

2-[(1H-benzotriazol-6-ylimino)methyl]-4,6-dichlorophenol
CID 135419023
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-4-chlorophenol
CID 779833
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol
CID 1350304
2-(2H-benzotriazol-5-yliminomethyl)-6-chloro-4-methylphenol
CID 135988538
2-(2H-benzotriazol-5-yliminomethyl)-4-chlorophenol
CID 136422154
CID 136422176
CID 136422176
2-[(1H-benzotriazol-4-ylamino)methyl]-4,6-dichlorophenol
CID 6419243
2-[(2,1,3-Benzoselenadiazol-4-ylamino)methyl]-4,6-dichlorophenol
CID 43716002
2,4-Dichloro-6-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]phenol
CID 65475594
2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-4-chloro-6-nitrophenol
CID 135813528

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol (CID 779544) is 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc2nsnc12.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol?
The InChIKey is DLVMJJUTKLUYHR-OMCISZLKSA-N. The full InChI is InChI=1S/C13H7Cl2N3OS/c14-8-4-7(13(19)9(15)5-8)6-16-10-2-1-3-11-12(10)18-20-17-11/h1-6,19H/b16-6+.
What are the key properties of 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol?
2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol has a molecular weight of 324.19 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4,6-dichlorophenol is sourced from PubChem (CID 779544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).