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

C16H16FN3O3S — CID 95058977

IUPAC(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1
InChIInChI=1S/C16H16FN3O3S/c1-9-4-3-5-10(2)14(9)19-16(21)15-18-12-8-11(17)6-7-13(12)24(22,23)20-15/h3-8,15,18,20H,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyLGRQMZBGXYSXGW-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.11
Rot. Bonds2

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

(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 95058977) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID95058977
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1
InChIInChI=1S/C16H16FN3O3S/c1-9-4-3-5-10(2)14(9)19-16(21)15-18-12-8-11(17)6-7-13(12)24(22,23)20-15/h3-8,15,18,20H,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyLGRQMZBGXYSXGW-OAHLLOKOSA-N
XLogP2.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide with MolForge

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Related Compounds

(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93062729
N-(3,5-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53007985
N-(4-fluorophenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086420
(3S)-N-(3-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711866
(3R)-N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711869
(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074204
N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086427
N-(2,6-dimethylphenyl)-4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]benzamide
CID 92876196
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110857554
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 95058977) is (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is Cc1cccc(C)c1NC(=O)[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1.
What is the InChIKey of (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is LGRQMZBGXYSXGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-9-4-3-5-10(2)14(9)19-16(21)15-18-12-8-11(17)6-7-13(12)24(22,23)20-15/h3-8,15,18,20H,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 95058977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).