5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine

C13H15Cl2N3OS — CID 65476017

IUPAC5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOC1CCCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1
InChIInChI=1S/C13H15Cl2N3OS/c1-19-8-4-2-3-7(5-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h6-8,16H,2-5H2,1H3
InChIKeyWGTOXAJQIIFJAA-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.37
Rot. Bonds3

About 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65476017) has the molecular formula C13H15Cl2N3OS and a molecular weight of 332.26 g/mol. Its IUPAC name is 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65476017
Molecular FormulaC13H15Cl2N3OS
Molecular Weight332.26 g/mol
Exact Mass331.03
IUPAC Name5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine
SMILESCOC1CCCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1
InChIInChI=1S/C13H15Cl2N3OS/c1-19-8-4-2-3-7(5-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h6-8,16H,2-5H2,1H3
InChIKeyWGTOXAJQIIFJAA-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine (CID 65476017) is 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine is COC1CCCC(Nc2c(Cl)cc(Cl)c3nsnc23)C1.
What is the InChIKey of 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is WGTOXAJQIIFJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3OS/c1-19-8-4-2-3-7(5-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h6-8,16H,2-5H2,1H3.
What are the key properties of 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 332.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(3-methoxycyclohexyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65476017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).