3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C13H9FN2O2S — CID 4132406

IUPAC3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C13H9FN2O2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)19(17,18)16-13/h1-8H,(H,15,16)
InChIKeyHYMDNWRFJGMADE-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.39
Rot. Bonds1

About 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 4132406) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID4132406
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=C(c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C13H9FN2O2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)19(17,18)16-13/h1-8H,(H,15,16)
InChIKeyHYMDNWRFJGMADE-UHFFFAOYSA-N
XLogP2.39
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
N-[3,5-bis(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 2220129
4-[2-(4-Fluorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
CID 118710106
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
CID 686902
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-o-tolyl-amine
CID 730903
N-[N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl]benzenesulfonamide
CID 5557781
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-phenylethanimidamide
CID 5639962
(E)-N'-(4-Fluorobenzenesulfonyl)-N-(naphthalen-1-YL)benzenecarboximidamide
CID 5837675
4-[1-(4-Fluorophenyl)-4,5-dihydroimidazol-2-yl]benzenesulfonamide
CID 145956347
N-(2,4-difluorophenyl)-4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 5883356
N-(2,4-difluorophenyl)-N'-(phenylsulfonyl)benzenecarboximidamide
CID 5886354

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 4132406) is 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=C(c2ccc(F)cc2)Nc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is HYMDNWRFJGMADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)19(17,18)16-13/h1-8H,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 276.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 4132406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).