4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C22H18F3N5O2S — CID 78324995

About 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 78324995) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• PubChem CID: 78324995
• Molecular Formula: C22H18F3N5O2S
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.11
• IUPAC Name: 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccn[nH]3)ccc2C2CC2)cc1
• InChI: InChI=1S/C22H18F3N5O2S/c23-22(24,25)21-12-20(30(29-21)15-4-6-16(7-5-15)33(26,31)32)18-11-14(19-9-10-27-28-19)3-8-17(18)13-1-2-13/h3-13H,1-2H2,(H,27,28)(H2,26,31,32)
• InChIKey: KIAUAQDLSOPTQF-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 106.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The IUPAC name of 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 78324995) is 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccn[nH]3)ccc2C2CC2)cc1.

What is the InChIKey of 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The InChIKey is KIAUAQDLSOPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c23-22(24,25)21-12-20(30(29-21)15-4-6-16(7-5-15)33(26,31)32)18-11-14(19-9-10-27-28-19)3-8-17(18)13-1-2-13/h3-13H,1-2H2,(H,27,28)(H2,26,31,32).

What are the key properties of 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-cyclopropyl-5-(1H-pyrazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 78324995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).