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

C14H11F2N3O3S — CID 20964972

IUPACN-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C14H11F2N3O3S/c15-8-5-6-10(9(16)7-8)18-14(20)13-17-11-3-1-2-4-12(11)23(21,22)19-13/h1-7,13,17,19H,(H,18,20)
InChIKeyKFBOEDIVHDCNOR-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.63
Rot. Bonds2

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

N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 20964972) has the molecular formula C14H11F2N3O3S and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID20964972
Molecular FormulaC14H11F2N3O3S
Molecular Weight339.32 g/mol
Exact Mass339.05
IUPAC NameN-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C14H11F2N3O3S/c15-8-5-6-10(9(16)7-8)18-14(20)13-17-11-3-1-2-4-12(11)23(21,22)19-13/h1-7,13,17,19H,(H,18,20)
InChIKeyKFBOEDIVHDCNOR-UHFFFAOYSA-N
XLogP1.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 20964972) is N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is KFBOEDIVHDCNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S/c15-8-5-6-10(9(16)7-8)18-14(20)13-17-11-3-1-2-4-12(11)23(21,22)19-13/h1-7,13,17,19H,(H,18,20).
What are the key properties of N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 20964972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).