8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide

C17H19FN4O2S — CID 95168496

IUPAC8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1
InChIInChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3
InChIKeyWYKIJUHUNQCIEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds5

About 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide

8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide (PubChem CID 95168496) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
PubChem CID95168496
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1
InChIInChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3
InChIKeyWYKIJUHUNQCIEO-UHFFFAOYSA-N
XLogP3.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide (CID 95168496) is 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide is CC(C)Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)n(C)n1.
What is the InChIKey of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
The InChIKey is WYKIJUHUNQCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-11(2)9-12-10-16(22(3)20-12)21-25(23,24)15-7-6-14(18)17-13(15)5-4-8-19-17/h4-8,10-11,21H,9H2,1-3H3.
What are the key properties of 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide?
8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide has a molecular weight of 362.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 95168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).