2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C37H27Cl2F3N6O4S2 — CID 70230174

About 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 70230174) has the molecular formula C37H27Cl2F3N6O4S2 and a molecular weight of 811.70 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• PubChem CID: 70230174
• Molecular Formula: C37H27Cl2F3N6O4S2
• Molecular Weight: 811.70 g/mol
• Exact Mass: 810.09
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c(Cl)c1-c1ccccc1.NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C21H16ClN3O2S.C16H11ClF3N3O2S/c22-19-20(15-9-3-1-4-10-15)24-25(21(19)16-11-5-2-6-12-16)17-13-7-8-14-18(17)28(23,26)27;17-11-7-5-10(6-8-11)13-9-15(16(18,19)20)22-23(13)12-3-1-2-4-14(12)26(21,24)25/h1-14H,(H2,23,26,27);1-9H,(H2,21,24,25)
• InChIKey: ZUXQPKJQIUUWKK-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 155.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.70
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 70230174) is 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c(Cl)c1-c1ccccc1.NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The InChIKey is ZUXQPKJQIUUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S.C16H11ClF3N3O2S/c22-19-20(15-9-3-1-4-10-15)24-25(21(19)16-11-5-2-6-12-16)17-13-7-8-14-18(17)28(23,26)27;17-11-7-5-10(6-8-11)13-9-15(16(18,19)20)22-23(13)12-3-1-2-4-14(12)26(21,24)25/h1-14H,(H2,23,26,27);1-9H,(H2,21,24,25).

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 811.70 g/mol, XLogP of 8.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 70230174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).