N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide

C16H11Cl2FN2O4S — CID 10598034

IUPACN-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C16H11Cl2FN2O4S/c1-21-16(23)14(10-7-9(19)3-5-13(10)26(21,24)25)15(22)20-12-4-2-8(17)6-11(12)18/h2-7,23H,1H3,(H,20,22)
InChIKeyBHYFMDSWBBJTJY-UHFFFAOYSA-N
MW417.25 g/mol
LogP3.63
Rot. Bonds2

About N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide

N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (PubChem CID 10598034) has the molecular formula C16H11Cl2FN2O4S and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
PubChem CID10598034
Molecular FormulaC16H11Cl2FN2O4S
Molecular Weight417.25 g/mol
Exact Mass415.98
IUPAC NameN-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C16H11Cl2FN2O4S/c1-21-16(23)14(10-7-9(19)3-5-13(10)26(21,24)25)15(22)20-12-4-2-8(17)6-11(12)18/h2-7,23H,1H3,(H,20,22)
InChIKeyBHYFMDSWBBJTJY-UHFFFAOYSA-N
XLogP3.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-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

2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467411
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (CID 10598034) is N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2S1(=O)=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The InChIKey is BHYFMDSWBBJTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O4S/c1-21-16(23)14(10-7-9(19)3-5-13(10)26(21,24)25)15(22)20-12-4-2-8(17)6-11(12)18/h2-7,23H,1H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide has a molecular weight of 417.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-fluoro-3-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is sourced from PubChem (CID 10598034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).