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

C17H18FN3O3S — CID 93062729

IUPAC(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1
InChIInChI=1S/C17H18FN3O3S/c1-9-6-10(2)15(11(3)7-9)20-17(22)16-19-13-8-12(18)4-5-14(13)25(23,24)21-16/h4-8,16,19,21H,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyICNJUKGCDOSWSU-MRXNPFEDSA-N
MW363.41 g/mol
LogP2.42
Rot. Bonds2

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

(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 93062729) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID93062729
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1
InChIInChI=1S/C17H18FN3O3S/c1-9-6-10(2)15(11(3)7-9)20-17(22)16-19-13-8-12(18)4-5-14(13)25(23,24)21-16/h4-8,16,19,21H,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyICNJUKGCDOSWSU-MRXNPFEDSA-N
XLogP2.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(2,6-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95058977
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
(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074204
(3S)-N-(2,4-dimethylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 42584679
(3R)-N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711869
N-(4-ethoxyphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086427
(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069254
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
1-(4-fluorophenyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 3624960
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216

Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 93062729) is (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is Cc1cc(C)c(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1.
What is the InChIKey of (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is ICNJUKGCDOSWSU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-9-6-10(2)15(11(3)7-9)20-17(22)16-19-13-8-12(18)4-5-14(13)25(23,24)21-16/h4-8,16,19,21H,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 93062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).