6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C12H13ClN2O2S — CID 23126774

IUPAC6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCC2)Nc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O2S/c13-9-5-6-11-10(7-9)14-12(15-18(11,16)17)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)
InChIKeyAWAKKSHLAVZIJL-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.04
Rot. Bonds1

About 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 23126774) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID23126774
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(C2CCCC2)Nc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O2S/c13-9-5-6-11-10(7-9)14-12(15-18(11,16)17)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)
InChIKeyAWAKKSHLAVZIJL-UHFFFAOYSA-N
XLogP3.04
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 23126774) is 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(C2CCCC2)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is AWAKKSHLAVZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-9-5-6-11-10(7-9)14-12(15-18(11,16)17)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15).
What are the key properties of 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 284.77 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopentyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 23126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).