N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide

C12H11FN4O3S — CID 61275744

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESO=C1CCc2cc(F)c(NS(=O)(=O)c3cn[nH]c3)cc2N1
InChIInChI=1S/C12H11FN4O3S/c13-9-3-7-1-2-12(18)16-10(7)4-11(9)17-21(19,20)8-5-14-15-6-8/h3-6,17H,1-2H2,(H,14,15)(H,16,18)
InChIKeyVRGJEGPKXONIEC-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.23
Rot. Bonds3

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61275744) has the molecular formula C12H11FN4O3S and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61275744
Molecular FormulaC12H11FN4O3S
Molecular Weight310.31 g/mol
Exact Mass310.05
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESO=C1CCc2cc(F)c(NS(=O)(=O)c3cn[nH]c3)cc2N1
InChIInChI=1S/C12H11FN4O3S/c13-9-3-7-1-2-12(18)16-10(7)4-11(9)17-21(19,20)8-5-14-15-6-8/h3-6,17H,1-2H2,(H,14,15)(H,16,18)
InChIKeyVRGJEGPKXONIEC-UHFFFAOYSA-N
XLogP1.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide (CID 61275744) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide is O=C1CCc2cc(F)c(NS(=O)(=O)c3cn[nH]c3)cc2N1.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VRGJEGPKXONIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3S/c13-9-3-7-1-2-12(18)16-10(7)4-11(9)17-21(19,20)8-5-14-15-6-8/h3-6,17H,1-2H2,(H,14,15)(H,16,18).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 310.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).