2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine

C12H8Cl2N4S — CID 65475612

IUPAC2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H8Cl2N4S/c13-6-5-7(14)11-12(18-19-17-11)10(6)16-9-4-2-1-3-8(9)15/h1-5,16H,15H2
InChIKeyWGQWDUDGLGARSP-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.32
Rot. Bonds2

About 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine

2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine (PubChem CID 65475612) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
PubChem CID65475612
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H8Cl2N4S/c13-6-5-7(14)11-12(18-19-17-11)10(6)16-9-4-2-1-3-8(9)15/h1-5,16H,15H2
InChIKeyWGQWDUDGLGARSP-UHFFFAOYSA-N
XLogP4.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine (CID 65475612) is 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine is Nc1ccccc1Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine?
The InChIKey is WGQWDUDGLGARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c13-6-5-7(14)11-12(18-19-17-11)10(6)16-9-4-2-1-3-8(9)15/h1-5,16H,15H2.
What are the key properties of 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine?
2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine has a molecular weight of 311.20 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 65475612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).