8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide

C13H11FN4O2S — CID 31914993

IUPAC8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)n1
InChIInChI=1S/C13H11FN4O2S/c1-18-8-6-12(16-18)17-21(19,20)11-5-4-10(14)13-9(11)3-2-7-15-13/h2-8H,1H3,(H,16,17)
InChIKeyBHXVNCVSYUFPRE-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.91
Rot. Bonds3

About 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide

8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide (PubChem CID 31914993) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
PubChem CID31914993
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)n1
InChIInChI=1S/C13H11FN4O2S/c1-18-8-6-12(16-18)17-21(19,20)11-5-4-10(14)13-9(11)3-2-7-15-13/h2-8H,1H3,(H,16,17)
InChIKeyBHXVNCVSYUFPRE-UHFFFAOYSA-N
XLogP1.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.91
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-methylpyrazol-3-yl)quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide (CID 31914993) is 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(F)c3ncccc23)n1.
What is the InChIKey of 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide?
The InChIKey is BHXVNCVSYUFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-18-8-6-12(16-18)17-21(19,20)11-5-4-10(14)13-9(11)3-2-7-15-13/h2-8H,1H3,(H,16,17).
What are the key properties of 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide?
8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 31914993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).