4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C38H34F6N8O4S2 — CID 161468587

About 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 161468587) has the molecular formula C38H34F6N8O4S2 and a molecular weight of 844.86 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• PubChem CID: 161468587
• Molecular Formula: C38H34F6N8O4S2
• Molecular Weight: 844.86 g/mol
• Exact Mass: 844.20
• IUPAC Name: 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• SMILES: CNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3C)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3)cc1
• InChI: InChI=1S/C20H19F3N4O2S.C18H15F3N4O2S/c1-24-30(28,29)16-6-4-15(5-7-16)27-18(12-19(25-27)20(21,22)23)13-3-8-17-14(11-13)9-10-26(17)2;19-18(20,21)17-10-16(12-1-6-15-11(9-12)7-8-23-15)25(24-17)13-2-4-14(5-3-13)28(22,26)27/h3-8,11-12,24H,9-10H2,1-2H3;1-6,9-10,23H,7-8H2,(H2,22,26,27)
• InChIKey: WCTOGDORZCHRSD-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 157.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.86
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The IUPAC name of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 161468587) is 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3C)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCN3)cc1.

What is the InChIKey of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

The InChIKey is WCTOGDORZCHRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S.C18H15F3N4O2S/c1-24-30(28,29)16-6-4-15(5-7-16)27-18(12-19(25-27)20(21,22)23)13-3-8-17-14(11-13)9-10-26(17)2;19-18(20,21)17-10-16(12-1-6-15-11(9-12)7-8-23-15)25(24-17)13-2-4-14(5-3-13)28(22,26)27/h3-8,11-12,24H,9-10H2,1-2H3;1-6,9-10,23H,7-8H2,(H2,22,26,27).

What are the key properties of 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?

4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 844.86 g/mol, XLogP of 6.63, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,3-dihydro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-methyl-4-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 161468587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).