N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide

C14H10FN3O3S — CID 50790598

IUPACN-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H10FN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeySTFKCLMDIQOAIO-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.98
Rot. Bonds2

About N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide

N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 50790598) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID50790598
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC NameN-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1=NS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C14H10FN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)
InChIKeySTFKCLMDIQOAIO-UHFFFAOYSA-N
XLogP1.98
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711866
N-(3-fluorophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91900795
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 16823433
N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
N-(3-chlorophenyl)-2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 7386874
N-(3-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 892331
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 50790598) is N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1cccc(F)c1)C1=NS(=O)(=O)c2ccccc2N1.
What is the InChIKey of N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is STFKCLMDIQOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c15-9-4-3-5-10(8-9)16-14(19)13-17-11-6-1-2-7-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18).
What are the key properties of N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 50790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).