N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

C14H10F3N3O3S — CID 53002937

IUPACN-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1Nc2cc(F)ccc2S(=O)(=O)N1
InChIInChI=1S/C14H10F3N3O3S/c15-7-1-3-10(9(17)5-7)19-14(21)13-18-11-6-8(16)2-4-12(11)24(22,23)20-13/h1-6,13,18,20H,(H,19,21)
InChIKeyHEOPVPTXZQEMRY-UHFFFAOYSA-N
MW357.31 g/mol
LogP1.77
Rot. Bonds2

About N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 53002937) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID53002937
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC NameN-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1Nc2cc(F)ccc2S(=O)(=O)N1
InChIInChI=1S/C14H10F3N3O3S/c15-7-1-3-10(9(17)5-7)19-14(21)13-18-11-6-8(16)2-4-12(11)24(22,23)20-13/h1-6,13,18,20H,(H,19,21)
InChIKeyHEOPVPTXZQEMRY-UHFFFAOYSA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 51.77
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)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 53002937) is N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1Nc2cc(F)ccc2S(=O)(=O)N1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is HEOPVPTXZQEMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-7-1-3-10(9(17)5-7)19-14(21)13-18-11-6-8(16)2-4-12(11)24(22,23)20-13/h1-6,13,18,20H,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
N-(2,4-difluorophenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 1.77, 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)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 53002937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).