N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C24H27F3N4O3S — CID 71737688

About N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 71737688) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
• PubChem CID: 71737688
• Molecular Formula: C24H27F3N4O3S
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.18
• IUPAC Name: N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
• SMILES: CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C24H27F3N4O3S/c1-3-31(16(2)20-6-4-5-7-21(20)24(25,26)27)23(32)17-10-12-30(13-11-17)35(33,34)19-8-9-22-18(14-19)15-28-29-22/h4-9,14-17H,3,10-13H2,1-2H3,(H,28,29)/t16-/m1/s1
• InChIKey: NRCQQUKFFVZFQP-MRXNPFEDSA-N
• XLogP: 4.59
• 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	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 71737688) is N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1C(F)(F)F.

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

The InChIKey is NRCQQUKFFVZFQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/c1-3-31(16(2)20-6-4-5-7-21(20)24(25,26)27)23(32)17-10-12-30(13-11-17)35(33,34)19-8-9-22-18(14-19)15-28-29-22/h4-9,14-17H,3,10-13H2,1-2H3,(H,28,29)/t16-/m1/s1.

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

N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 508.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).