4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C20H16F3N3O3S — CID 127037905

IUPAC4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccco3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
InChIKeyIYKCZODWNDOPHB-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.30
Rot. Bonds4

About 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 127037905) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID127037905
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccco3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
InChIKeyIYKCZODWNDOPHB-UHFFFAOYSA-N
XLogP4.30
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.30
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-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 127037905) is 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccco3)CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is IYKCZODWNDOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28).
What are the key properties of 4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 435.43 g/mol, XLogP of 4.30, 4 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-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 127037905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).