4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H10F3N3O3S — CID 22315512

IUPAC4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)13-8-11(12-2-1-7-23-12)20(19-13)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyRNPIORLAGIKXAR-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.80
Rot. Bonds3

About 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315512) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315512
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC Name4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)13-8-11(12-2-1-7-23-12)20(19-13)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyRNPIORLAGIKXAR-UHFFFAOYSA-N
XLogP2.80
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315512) is 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is RNPIORLAGIKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-14(16,17)13-8-11(12-2-1-7-23-12)20(19-13)9-3-5-10(6-4-9)24(18,21)22/h1-8H,(H2,18,21,22).
What are the key properties of 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 357.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).