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

C22H16F5N3O2S — CID 118855474

IUPAC4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)c(F)c3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F5N3O2S/c23-18-10-3-14(11-19(18)24)20-12-21(13-1-4-15(5-2-13)22(25,26)27)30(29-20)16-6-8-17(9-7-16)33(28,31)32/h1-11,21H,12H2,(H2,28,31,32)
InChIKeyXKSRHSKQVMSOEK-UHFFFAOYSA-N
MW481.45 g/mol
LogP4.99
Rot. Bonds4

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

4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 118855474) has the molecular formula C22H16F5N3O2S and a molecular weight of 481.45 g/mol. Its IUPAC name is 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID118855474
Molecular FormulaC22H16F5N3O2S
Molecular Weight481.45 g/mol
Exact Mass481.09
IUPAC Name4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(F)c(F)c3)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F5N3O2S/c23-18-10-3-14(11-19(18)24)20-12-21(13-1-4-15(5-2-13)22(25,26)27)30(29-20)16-6-8-17(9-7-16)33(28,31)32/h1-11,21H,12H2,(H2,28,31,32)
InChIKeyXKSRHSKQVMSOEK-UHFFFAOYSA-N
XLogP4.99
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3,4-difluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 118855474) is 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)c(F)c3)CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is XKSRHSKQVMSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O2S/c23-18-10-3-14(11-19(18)24)20-12-21(13-1-4-15(5-2-13)22(25,26)27)30(29-20)16-6-8-17(9-7-16)33(28,31)32/h1-11,21H,12H2,(H2,28,31,32).
What are the key properties of 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 481.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 118855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).