4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C11H11F3N2O2S — CID 67530562

IUPAC4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)8-2-1-3-9-10(8)16(7-4-5-7)6-15-19(9,17)18/h1-3,7,15H,4-6H2
InChIKeyYXLCSPDPEYVWCK-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.92
Rot. Bonds1

About 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 67530562) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID67530562
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)8-2-1-3-9-10(8)16(7-4-5-7)6-15-19(9,17)18/h1-3,7,15H,4-6H2
InChIKeyYXLCSPDPEYVWCK-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-chloro-6-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739434
4-cyclopropyl-5-(trifluoromethyl)-1,2,4-benzothiadiazine
CID 91251555
2-methyl-4-(trifluoromethyl)-1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 166929005
[2,6-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965741
3-methyl-1,1-dioxo-6-(trifluoromethyl)-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 115098357
[2,6-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939658
2-quinolin-6-yl-1-[4-[7-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]piperidin-1-yl]ethanone
CID 155672294
6,7,7a,8,9,10-hexahydropyrrolo[2,1-d][1,2,5]benzothiadiazepine 5,5-dioxide
CID 146413332
(3S)-3-amino-1-hydroxy-8-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253769
9-(trifluoromethyl)-2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107544
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 67530562) is 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2c(C(F)(F)F)cccc21.
What is the InChIKey of 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is YXLCSPDPEYVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)8-2-1-3-9-10(8)16(7-4-5-7)6-15-19(9,17)18/h1-3,7,15H,4-6H2.
What are the key properties of 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 292.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 67530562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).