1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide

C13H16FN3O2S — CID 71920940

IUPAC1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-13(6-7-15-17)16-20(18,19)9-11-4-3-5-12(14)8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyUFIVHLKDZGVSJF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide

1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide (PubChem CID 71920940) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide
PubChem CID71920940
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-13(6-7-15-17)16-20(18,19)9-11-4-3-5-12(14)8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyUFIVHLKDZGVSJF-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide (CID 71920940) is 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide is CC(C)n1nccc1NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide?
The InChIKey is UFIVHLKDZGVSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-10(2)17-13(6-7-15-17)16-20(18,19)9-11-4-3-5-12(14)8-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide?
1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).