2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H14FN3O2S — CID 3416873

IUPAC2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H14FN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-7-5-4-6-10(11)13/h4-7,15H,1-3H3
InChIKeyAJPAKSDPSYBEQB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.98
Rot. Bonds3

About 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3416873) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3416873
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H14FN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-7-5-4-6-10(11)13/h4-7,15H,1-3H3
InChIKeyAJPAKSDPSYBEQB-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3416873) is 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is AJPAKSDPSYBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-12(9(2)16(3)14-8)15-19(17,18)11-7-5-4-6-10(11)13/h4-7,15H,1-3H3.
What are the key properties of 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3416873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).