4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C13H8F3N3O2S — CID 3043801

IUPAC4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(c2cccc(C(F)(F)F)c2)c2ccncc21
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)9-2-1-3-10(6-9)19-8-18-22(20,21)12-7-17-5-4-11(12)19/h1-8H
InChIKeyAYVFALCVTHSZIT-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.97
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 3043801) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID3043801
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CN(c2cccc(C(F)(F)F)c2)c2ccncc21
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)9-2-1-3-10(6-9)19-8-18-22(20,21)12-7-17-5-4-11(12)19/h1-8H
InChIKeyAYVFALCVTHSZIT-UHFFFAOYSA-N
XLogP2.97
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
[1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1λ6,4-benzothiazin-2-yl]-phenylmethanone
CID 46296960
methyl 1,1-dioxo-4-[3-(trifluoromethyl)phenyl]-1λ6,4-benzothiazine-2-carboxylate
CID 53094591
N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 1214443
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
5-pyrazin-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 171682403
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 102201293
1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
CID 167629812
3-methyl-4-(3-nitrophenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 3043807
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
4-pentyl-6-(trifluoromethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 46369379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 3043801) is 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is O=S1(=O)N=CN(c2cccc(C(F)(F)F)c2)c2ccncc21.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is AYVFALCVTHSZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)9-2-1-3-10(6-9)19-8-18-22(20,21)12-7-17-5-4-11(12)19/h1-8H.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 327.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 3043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).