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

C20H14F3N3O3S — CID 15908394

IUPAC4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)19-11-18(14-3-1-13(2-4-14)15-9-10-29-12-15)26(25-19)16-5-7-17(8-6-16)30(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyXDYUOFPUPIGRKM-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.47
Rot. Bonds4

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

4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 15908394) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID15908394
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)19-11-18(14-3-1-13(2-4-14)15-9-10-29-12-15)26(25-19)16-5-7-17(8-6-16)30(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyXDYUOFPUPIGRKM-UHFFFAOYSA-N
XLogP4.47
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 15908394) is 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is XDYUOFPUPIGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c21-20(22,23)19-11-18(14-3-1-13(2-4-14)15-9-10-29-12-15)26(25-19)16-5-7-17(8-6-16)30(24,27)28/h1-12H,(H2,24,27,28).
What are the key properties of 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 433.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).