N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide

C18H15FN4O3S — CID 71567009

IUPACN-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
SMILESCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S/c1-22-17-14-9-13(21-18(24)11-3-5-12(19)6-4-11)7-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
InChIKeyCVWIHCVTHLIUHE-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.62
Rot. Bonds2

About N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide

N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide (PubChem CID 71567009) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
PubChem CID71567009
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
SMILESCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S/c1-22-17-14-9-13(21-18(24)11-3-5-12(19)6-4-11)7-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
InChIKeyCVWIHCVTHLIUHE-UHFFFAOYSA-N
XLogP2.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide with MolForge

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Related Compounds

N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
1-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indazole-4-carboxamide
CID 44470374
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
N-[(4-fluorophenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-amine
CID 71567146
5-acetyl-1-(4-fluorophenyl)-8-[(methylsulfonyl)amino]-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3-carboxamide
CID 10160626
US9951086, Example 157
CID 118172777
4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567007

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide (CID 71567009) is N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide is CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O.
What is the InChIKey of N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide?
The InChIKey is CVWIHCVTHLIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-22-17-14-9-13(21-18(24)11-3-5-12(19)6-4-11)7-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide?
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide has a molecular weight of 386.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide is sourced from PubChem (CID 71567009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).