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

C20H16F3N3O2S2 — CID 127040263

IUPAC4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O2S2/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)
InChIKeyUKTLMQICPPERPB-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.77
Rot. Bonds4

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

4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 127040263) has the molecular formula C20H16F3N3O2S2 and a molecular weight of 451.50 g/mol. Its IUPAC name is 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID127040263
Molecular FormulaC20H16F3N3O2S2
Molecular Weight451.50 g/mol
Exact Mass451.06
IUPAC Name4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O2S2/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)
InChIKeyUKTLMQICPPERPB-UHFFFAOYSA-N
XLogP4.77
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3834518
1-(4-Methanesulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazole (14b)
CID 118855464
3-(4-Fluorophenyl)-1-(4-Methanesulfonylphenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14e)
CID 118855467
3-(3,4-Difluoroluorophenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14f)
CID 118855468
1-(4-Aminosulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazole (14h)
CID 118855470
1-(4-Aminosulfonylphenyl)-3-(4-fluorophenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14k)
CID 118855473
1-(4-Aminosulfonylphenyl)-3-(3,4-difluorophenyl)-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazole (14l)
CID 118855474
4-[3-(4-ethylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
CID 2864686
N-[3-[2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4463549
5-(4-Fluorophenyl)-1-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 5222003
4-[5-(4-Fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-YL]-1-benzenesulfonamide
CID 16433437
4-[3-(4-Chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 127037904

Frequently Asked Questions

What is the IUPAC name of 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 127040263) is 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3cccs3)CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is UKTLMQICPPERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S2/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-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 127040263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).