6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C13H14Cl2N2O2S — CID 67529599

IUPAC6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CCCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H14Cl2N2O2S/c14-10-6-12-13(7-11(10)15)20(18,19)16-8-17(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyREDJWWKNPFXUJN-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.86
Rot. Bonds1

About 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67529599) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67529599
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CCCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H14Cl2N2O2S/c14-10-6-12-13(7-11(10)15)20(18,19)16-8-17(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyREDJWWKNPFXUJN-UHFFFAOYSA-N
XLogP3.86
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67529599) is 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CCCCC2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is REDJWWKNPFXUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c14-10-6-12-13(7-11(10)15)20(18,19)16-8-17(12)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 333.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-cyclohexyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67529599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).