(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

C15H13ClFN3O3S — CID 95074204

IUPAC(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C15H13ClFN3O3S/c1-8-6-10(17)3-5-11(8)19-15(21)14-18-12-4-2-9(16)7-13(12)24(22,23)20-14/h2-7,14,18,20H,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXRCKPQFATHZQBH-CQSZACIVSA-N
MW369.81 g/mol
LogP2.46
Rot. Bonds2

About (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide

(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 95074204) has the molecular formula C15H13ClFN3O3S and a molecular weight of 369.81 g/mol. Its IUPAC name is (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID95074204
Molecular FormulaC15H13ClFN3O3S
Molecular Weight369.81 g/mol
Exact Mass369.04
IUPAC Name(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C15H13ClFN3O3S/c1-8-6-10(17)3-5-11(8)19-15(21)14-18-12-4-2-9(16)7-13(12)24(22,23)20-14/h2-7,14,18,20H,1H3,(H,19,21)/t14-/m1/s1
InChIKeyXRCKPQFATHZQBH-CQSZACIVSA-N
XLogP2.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-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)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069254
(3R)-N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711869
(3S)-N-(2,4-dimethylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 42584679
(3R)-6-fluoro-1,1-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93062729
(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
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
(3R)-N-(4-chlorophenyl)-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074107
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 95074204) is (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is Cc1cc(F)ccc1NC(=O)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1.
What is the InChIKey of (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is XRCKPQFATHZQBH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClFN3O3S/c1-8-6-10(17)3-5-11(8)19-15(21)14-18-12-4-2-9(16)7-13(12)24(22,23)20-14/h2-7,14,18,20H,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 95074204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).