N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide

C18H15FN4O3S — CID 71567143

IUPACN-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S/c1-22-17-14-9-11(18(24)21-13-6-4-12(19)5-7-13)3-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
InChIKeyOGZWVPNHAPBIHM-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.62
Rot. Bonds2

About N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide

N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide (PubChem CID 71567143) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
PubChem CID71567143
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O
InChIInChI=1S/C18H15FN4O3S/c1-22-17-14-9-11(18(24)21-13-6-4-12(19)5-7-13)3-8-15(14)23(2)27(25,26)16(17)10-20-22/h3-10H,1-2H3,(H,21,24)
InChIKeyOGZWVPNHAPBIHM-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide (CID 71567143) is N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide is CN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2c(cnn2C)S1(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide?
The InChIKey is OGZWVPNHAPBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-22-17-14-9-11(18(24)21-13-6-4-12(19)5-7-13)3-8-15(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-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide?
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide 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-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide is sourced from PubChem (CID 71567143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).