5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine

C7H5Cl2N3S — CID 63090384

IUPAC5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
SMILESCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C7H5Cl2N3S/c1-10-5-3(8)2-4(9)6-7(5)12-13-11-6/h2,10H,1H3
InChIKeyHSGRUDYYYVWFPG-UHFFFAOYSA-N
MW234.11 g/mol
LogP3.04
Rot. Bonds1

About 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 63090384) has the molecular formula C7H5Cl2N3S and a molecular weight of 234.11 g/mol. Its IUPAC name is 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
PubChem CID63090384
Molecular FormulaC7H5Cl2N3S
Molecular Weight234.11 g/mol
Exact Mass232.96
IUPAC Name5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
SMILESCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C7H5Cl2N3S/c1-10-5-3(8)2-4(9)6-7(5)12-13-11-6/h2,10H,1H3
InChIKeyHSGRUDYYYVWFPG-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine (CID 63090384) is 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine is CNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HSGRUDYYYVWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3S/c1-10-5-3(8)2-4(9)6-7(5)12-13-11-6/h2,10H,1H3.
What are the key properties of 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 234.11 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 63090384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).