4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide

C14H11F2N3O2S2 — CID 15295616

IUPAC4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)11-8-12(13-2-1-7-22-13)19(18-11)9-3-5-10(6-4-9)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyKPUWGBIOXZLYFJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds4

About 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 15295616) has the molecular formula C14H11F2N3O2S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID15295616
Molecular FormulaC14H11F2N3O2S2
Molecular Weight355.39 g/mol
Exact Mass355.03
IUPAC Name4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)11-8-12(13-2-1-7-22-13)19(18-11)9-3-5-10(6-4-9)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyKPUWGBIOXZLYFJ-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide (CID 15295616) is 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2cccs2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is KPUWGBIOXZLYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S2/c15-14(16)11-8-12(13-2-1-7-22-13)19(18-11)9-3-5-10(6-4-9)23(17,20)21/h1-8,14H,(H2,17,20,21).
What are the key properties of 4-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-thiophen-2-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-2-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15295616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).