5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C13H15ClN2O2S — CID 22324044

IUPAC5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCCC2)Nc2c(Cl)cccc21
InChIInChI=1S/C13H15ClN2O2S/c14-10-7-4-8-11-12(10)15-13(16-19(11,17)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKeyMUAILCDCWHRBKJ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.43
Rot. Bonds1

About 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 22324044) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID22324044
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCCC2)Nc2c(Cl)cccc21
InChIInChI=1S/C13H15ClN2O2S/c14-10-7-4-8-11-12(10)15-13(16-19(11,17)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKeyMUAILCDCWHRBKJ-UHFFFAOYSA-N
XLogP3.43
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 22324044) is 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(C2CCCCC2)Nc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is MUAILCDCWHRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-10-7-4-8-11-12(10)15-13(16-19(11,17)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16).
What are the key properties of 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 298.79 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 22324044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).