4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H9F3N2O2S — CID 154364415

IUPAC4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3N2O2S/c1-2-15-6-14-18(16,17)9-4-3-7(5-8(9)15)10(11,12)13/h3-6H,2H2,1H3
InChIKeyIIBJGDIPPWBGHU-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.26
Rot. Bonds1

About 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 154364415) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID154364415
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC Name4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCCN1C=NS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3N2O2S/c1-2-15-6-14-18(16,17)9-4-3-7(5-8(9)15)10(11,12)13/h3-6H,2H2,1H3
InChIKeyIIBJGDIPPWBGHU-UHFFFAOYSA-N
XLogP2.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 46369379
4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 3043801
4-methyl-7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 169108193
2-chloro-1-[6-methyl-5,5-dioxo-2-(trifluoromethyl)benzo[c][2,1,5]benzothiadiazepin-11-yl]ethanone
CID 14868678
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
ethyl 1,1-dioxo-5-(trifluoromethyl)-1,2-benzothiazole-3-carboxylate
CID 154719310
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
5,10-diethyl-1,2-dimethyl-7-(trifluoromethyl)phenazine
CID 19350148
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
(Z)-4-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)-2-methylbut-2-enoic acid
CID 107342640

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 154364415) is 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is CCN1C=NS(=O)(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is IIBJGDIPPWBGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-2-15-6-14-18(16,17)9-4-3-7(5-8(9)15)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 278.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 154364415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).