N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

C19H15F3N4O3S — CID 71538670

IUPACN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C19H15F3N4O3S/c1-30(28,29)25-15-5-3-2-4-12(15)11-6-7-13-16(8-11)26(10-19(20,21)22)18(27)14-9-23-24-17(13)14/h2-9,25H,10H2,1H3,(H,23,24)
InChIKeyIIJUVZFCYKIDJJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.48
Rot. Bonds4

About N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide

N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (PubChem CID 71538670) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
PubChem CID71538670
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC NameN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C19H15F3N4O3S/c1-30(28,29)25-15-5-3-2-4-12(15)11-6-7-13-16(8-11)26(10-19(20,21)22)18(27)14-9-23-24-17(13)14/h2-9,25H,10H2,1H3,(H,23,24)
InChIKeyIIJUVZFCYKIDJJ-UHFFFAOYSA-N
XLogP3.48
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide (CID 71538670) is N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1.
What is the InChIKey of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
The InChIKey is IIJUVZFCYKIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-30(28,29)25-15-5-3-2-4-12(15)11-6-7-13-16(8-11)26(10-19(20,21)22)18(27)14-9-23-24-17(13)14/h2-9,25H,10H2,1H3,(H,23,24).
What are the key properties of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide?
N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 71538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).