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

C14H11F2N3O2S2 — CID 22409125

IUPAC2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1cccs1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)9-8-11(12-5-3-7-22-12)19(18-9)10-4-1-2-6-13(10)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyNWPQCKBSGJHFHN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds4

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

2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 22409125) has the molecular formula C14H11F2N3O2S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID22409125
Molecular FormulaC14H11F2N3O2S2
Molecular Weight355.39 g/mol
Exact Mass355.03
IUPAC Name2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1cccs1
InChIInChI=1S/C14H11F2N3O2S2/c15-14(16)9-8-11(12-5-3-7-22-12)19(18-9)10-4-1-2-6-13(10)23(17,20)21/h1-8,14H,(H2,17,20,21)
InChIKeyNWPQCKBSGJHFHN-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 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide (CID 22409125) is 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1cccs1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is NWPQCKBSGJHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S2/c15-14(16)9-8-11(12-5-3-7-22-12)19(18-9)10-4-1-2-6-13(10)23(17,20)21/h1-8,14H,(H2,17,20,21).
What are the key properties of 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide?
2-[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 2-[3-(difluoromethyl)-5-thiophen-2-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).