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

C14H10ClF2N3O3S — CID 93069254

IUPAC(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C14H10ClF2N3O3S/c15-7-1-4-11-12(5-7)24(22,23)20-13(19-11)14(21)18-8-2-3-9(16)10(17)6-8/h1-6,13,19-20H,(H,18,21)/t13-/m1/s1
InChIKeyCICUGZTVEJJJQY-CYBMUJFWSA-N
MW373.77 g/mol
LogP2.29
Rot. Bonds2

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

(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (PubChem CID 93069254) has the molecular formula C14H10ClF2N3O3S and a molecular weight of 373.77 g/mol. Its IUPAC name is (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
PubChem CID93069254
Molecular FormulaC14H10ClF2N3O3S
Molecular Weight373.77 g/mol
Exact Mass373.01
IUPAC Name(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1
InChIInChI=1S/C14H10ClF2N3O3S/c15-7-1-4-11-12(5-7)24(22,23)20-13(19-11)14(21)18-8-2-3-9(16)10(17)6-8/h1-6,13,19-20H,(H,18,21)/t13-/m1/s1
InChIKeyCICUGZTVEJJJQY-CYBMUJFWSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-7-chloro-N-(3,4-difluorophenyl)-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-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069257
(3R)-7-chloro-N-(4-fluoro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074204
N-(3-fluoro-4-methylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086430
(3R)-N-(4-chlorophenyl)-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 95074107
N-(3-fluoro-4-methylphenyl)-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086459
N-(4-fluorophenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086420
(3R)-N-(3-chloro-4-methylphenyl)-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 42584712
N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 20964978
(3R)-N-(2,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 92711869
N-(3,5-dimethylphenyl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53007985
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The IUPAC name of (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide (CID 93069254) is (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide.
What is the SMILES notation for (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The canonical SMILES for (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1.
What is the InChIKey of (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
The InChIKey is CICUGZTVEJJJQY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10ClF2N3O3S/c15-7-1-4-11-12(5-7)24(22,23)20-13(19-11)14(21)18-8-2-3-9(16)10(17)6-8/h1-6,13,19-20H,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide?
(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide has a molecular weight of 373.77 g/mol, XLogP of 2.29, 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-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide is sourced from PubChem (CID 93069254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).