6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C8H5F3N2O2S — CID 619537

IUPAC6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-16(7,14)15/h1-4H,(H,12,13)
InChIKeyNFQTVRGKZFCEEM-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.85
Rot. Bonds

About 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 619537) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID619537
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-16(7,14)15/h1-4H,(H,12,13)
InChIKeyNFQTVRGKZFCEEM-UHFFFAOYSA-N
XLogP1.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 619537) is 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is NFQTVRGKZFCEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-16(7,14)15/h1-4H,(H,12,13).
What are the key properties of 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 250.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 619537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).