4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide

C13H16FN3O2S — CID 71991616

IUPAC4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(C)Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)8-17-9-12(7-15-17)16-20(18,19)13-5-3-11(14)4-6-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyGBZOVKLNOCOIQX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.48
Rot. Bonds5

About 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide

4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71991616) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71991616
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(C)Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)8-17-9-12(7-15-17)16-20(18,19)13-5-3-11(14)4-6-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyGBZOVKLNOCOIQX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide (CID 71991616) is 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide is CC(C)Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is GBZOVKLNOCOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-10(2)8-17-9-12(7-15-17)16-20(18,19)13-5-3-11(14)4-6-13/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71991616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).