4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide

C17H14N4O3S — CID 71567007

IUPAC4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
SMILESCN1c2ccc(-c3ccc(C(N)=O)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C17H14N4O3S/c1-21-14-7-6-12(10-2-4-11(5-3-10)17(18)22)8-13(14)16-15(9-19-20-16)25(21,23)24/h2-9H,1H3,(H2,18,22)(H,19,20)
InChIKeyPXRULJZQXIUNTM-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.98
Rot. Bonds2

About 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide

4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide (PubChem CID 71567007) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide.

Molecular Properties

Compound Name4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
PubChem CID71567007
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
SMILESCN1c2ccc(-c3ccc(C(N)=O)cc3)cc2-c2[nH]ncc2S1(=O)=O
InChIInChI=1S/C17H14N4O3S/c1-21-14-7-6-12(10-2-4-11(5-3-10)17(18)22)8-13(14)16-15(9-19-20-16)25(21,23)24/h2-9H,1H3,(H2,18,22)(H,19,20)
InChIKeyPXRULJZQXIUNTM-UHFFFAOYSA-N
XLogP1.98
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-Hydroxyethyl)piperidin-1-Yl][4-(5-Methyl-4,4-Dioxido-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Yl)phenyl]methanone
CID 70789288
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71568837
N-hydroxy-4-[[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 164621314
N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076
N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2374283
N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567008
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
CID 71567009
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
CID 71567143
N-{2-[4-oxo-5-(2,2,2-trifluoroethyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinolin-7-yl]phenyl}methanesulfonamide
CID 71538670
N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
CID 71539704
7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]quinolin-4-one
CID 71558333

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The IUPAC name of 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide (CID 71567007) is 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide.
What is the SMILES notation for 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The canonical SMILES for 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide is CN1c2ccc(-c3ccc(C(N)=O)cc3)cc2-c2[nH]ncc2S1(=O)=O.
What is the InChIKey of 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
The InChIKey is PXRULJZQXIUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-21-14-7-6-12(10-2-4-11(5-3-10)17(18)22)8-13(14)16-15(9-19-20-16)25(21,23)24/h2-9H,1H3,(H2,18,22)(H,19,20).
What are the key properties of 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide?
4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide is sourced from PubChem (CID 71567007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).