5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C12H15FN4O2S — CID 43255492

IUPAC5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-7-9(14)3-4-10(11)13/h3-8,16H,14H2,1-2H3
InChIKeyJHAOIETVKAIYHY-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds4

About 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 43255492) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID43255492
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-7-9(14)3-4-10(11)13/h3-8,16H,14H2,1-2H3
InChIKeyJHAOIETVKAIYHY-UHFFFAOYSA-N
XLogP1.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 43255492) is 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is JHAOIETVKAIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-8(2)17-12(5-6-15-17)16-20(18,19)11-7-9(14)3-4-10(11)13/h3-8,16H,14H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43255492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).