6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H9ClN2O2S — CID 58879454

IUPAC6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1cc2c(cc1Cl)NCNS2(=O)=O
InChIInChI=1S/C8H9ClN2O2S/c1-5-2-8-7(3-6(5)9)10-4-11-14(8,12)13/h2-3,10-11H,4H2,1H3
InChIKeyPSWWCBUOKPVUID-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.31
Rot. Bonds

About 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 58879454) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID58879454
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1cc2c(cc1Cl)NCNS2(=O)=O
InChIInChI=1S/C8H9ClN2O2S/c1-5-2-8-7(3-6(5)9)10-4-11-14(8,12)13/h2-3,10-11H,4H2,1H3
InChIKeyPSWWCBUOKPVUID-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 58879454) is 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1cc2c(cc1Cl)NCNS2(=O)=O.
What is the InChIKey of 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is PSWWCBUOKPVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-5-2-8-7(3-6(5)9)10-4-11-14(8,12)13/h2-3,10-11H,4H2,1H3.
What are the key properties of 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 232.69 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 58879454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).