6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C9H9Cl2FN2O2S — CID 11370003

IUPAC6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H9Cl2FN2O2S/c10-6-3-8-9(4-7(6)11)17(15,16)13-5-14(8)2-1-12/h3-4,13H,1-2,5H2
InChIKeyQFRQACVQQBPXOO-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.02
Rot. Bonds2

About 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 11370003) has the molecular formula C9H9Cl2FN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID11370003
Molecular FormulaC9H9Cl2FN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.97
IUPAC Name6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(CCF)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H9Cl2FN2O2S/c10-6-3-8-9(4-7(6)11)17(15,16)13-5-14(8)2-1-12/h3-4,13H,1-2,5H2
InChIKeyQFRQACVQQBPXOO-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 11370003) is 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(CCF)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is QFRQACVQQBPXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O2S/c10-6-3-8-9(4-7(6)11)17(15,16)13-5-14(8)2-1-12/h3-4,13H,1-2,5H2.
What are the key properties of 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 299.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2-fluoroethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 11370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).