3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H14N2O2S — CID 130338620

IUPAC3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCC1=Nc2ccccc2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-2-15-16-13-10-6-7-11-14(13)20(18,19)17(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyMOGOFNADRASRQE-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.34
Rot. Bonds2

About 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 130338620) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID130338620
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCC1=Nc2ccccc2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-2-15-16-13-10-6-7-11-14(13)20(18,19)17(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyMOGOFNADRASRQE-UHFFFAOYSA-N
XLogP3.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 130338620) is 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCC1=Nc2ccccc2S(=O)(=O)N1c1ccccc1.
What is the InChIKey of 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is MOGOFNADRASRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-15-16-13-10-6-7-11-14(13)20(18,19)17(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 286.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 130338620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).