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

C12H12Cl2N2O2S — CID 67530234

IUPAC6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H12Cl2N2O2S/c13-9-5-11-12(6-10(9)14)19(17,18)15-7-16(11)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyVNOCTDPVGGBBHU-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.47
Rot. Bonds1

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

6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67530234) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67530234
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC Name6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(C2CCCC2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H12Cl2N2O2S/c13-9-5-11-12(6-10(9)14)19(17,18)15-7-16(11)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyVNOCTDPVGGBBHU-UHFFFAOYSA-N
XLogP3.47
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.47
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-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67530234) is 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CN(C2CCCC2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is VNOCTDPVGGBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c13-9-5-11-12(6-10(9)14)19(17,18)15-7-16(11)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6,7-dichloro-4-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 319.21 g/mol, XLogP of 3.47, 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-cyclopentyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67530234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).