1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C24H27F3N4O3S — CID 71737725

About 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71737725) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
• PubChem CID: 71737725
• Molecular Formula: C24H27F3N4O3S
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.18
• IUPAC Name: 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
• SMILES: CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1
• InChI: InChI=1S/C24H27F3N4O3S/c1-16(2)31(15-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-11-30(12-10-17)35(33,34)20-7-8-22-19(13-20)14-28-29-22/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29)
• InChIKey: LPZFTIBFELQWLA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71737725) is 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1.

What is the InChIKey of 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?

The InChIKey is LPZFTIBFELQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/c1-16(2)31(15-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-11-30(12-10-17)35(33,34)20-7-8-22-19(13-20)14-28-29-22/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29).

What are the key properties of 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?

1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 508.57 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indazol-5-ylsulfonyl)-N-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).