2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C16H15FN2O2S — CID 141486619

IUPAC2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCC1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c1-2-5-16-18-14-6-3-4-7-15(14)22(20,21)19(16)13-10-8-12(17)9-11-13/h3-4,6-11H,2,5H2,1H3
InChIKeyJZCGFEXANHTVNM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.86
Rot. Bonds3

About 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 141486619) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID141486619
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCCC1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c1-2-5-16-18-14-6-3-4-7-15(14)22(20,21)19(16)13-10-8-12(17)9-11-13/h3-4,6-11H,2,5H2,1H3
InChIKeyJZCGFEXANHTVNM-UHFFFAOYSA-N
XLogP3.86
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3-propyl-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 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 141486619) is 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCCC1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is JZCGFEXANHTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-2-5-16-18-14-6-3-4-7-15(14)22(20,21)19(16)13-10-8-12(17)9-11-13/h3-4,6-11H,2,5H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 318.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-propyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 141486619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).