4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide

C14H11F2N3O2S2 — CID 22148985

IUPAC4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccsc2)cc1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)12-7-13(9-5-6-22-8-9)19(18-12)10-1-3-11(4-2-10)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyLQRACNSZNHUGPJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds4

About 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 22148985) has the molecular formula C14H11F2N3O2S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID22148985
Molecular FormulaC14H11F2N3O2S2
Molecular Weight355.39 g/mol
Exact Mass355.03
IUPAC Name4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccsc2)cc1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)12-7-13(9-5-6-22-8-9)19(18-12)10-1-3-11(4-2-10)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyLQRACNSZNHUGPJ-UHFFFAOYSA-N
XLogP3.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Celecoxib
CID 2662
Mavacoxib
CID 9843089
5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
CID 115239
4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide
CID 15345559
Desmethyl Celecoxib
CID 6426663
methyl N-4-(5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenylsulfonylpyrrolidine-1-carbimidothioate
CID 5854591
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Chloro-phenyl)-3-(5-chloro-thiophen-2-yl)-pyrazol-1-yl]-benzenesulfonamide
CID 9933456
4-(3-Trifluoromethyl-5H-isothiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide
CID 10024599
4-(5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 10199832
4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10271396

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide (CID 22148985) is 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccsc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is LQRACNSZNHUGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S2/c15-14(16)12-7-13(9-5-6-22-8-9)19(18-12)10-1-3-11(4-2-10)23(17,20)21/h1-8,14H,(H2,17,20,21).
What are the key properties of 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-thiophen-3-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22148985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).