1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide

C26H33F3N2O4S — CID 10075568

About 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide

1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10075568) has the molecular formula C26H33F3N2O4S and a molecular weight of 526.62 g/mol. Its IUPAC name is 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 10075568
• Molecular Formula: C26H33F3N2O4S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.21
• IUPAC Name: 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
• SMILES: CC(C)(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cc3)cc2)CC1
• InChI: InChI=1S/C26H33F3N2O4S/c1-24(2,3)31-17-15-25(16-18-31,23(32)30-33)36(34,35)22-12-10-21(11-13-22)20-8-6-19(7-9-20)5-4-14-26(27,28)29/h6-13,33H,4-5,14-18H2,1-3H3,(H,30,32)
• InChIKey: FWZVXBCJTAMIJR-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10075568) is 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is CC(C)(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cc3)cc2)CC1.

What is the InChIKey of 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?

The InChIKey is FWZVXBCJTAMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N2O4S/c1-24(2,3)31-17-15-25(16-18-31,23(32)30-33)36(34,35)22-12-10-21(11-13-22)20-8-6-19(7-9-20)5-4-14-26(27,28)29/h6-13,33H,4-5,14-18H2,1-3H3,(H,30,32).

What are the key properties of 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide?

1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 526.62 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N-hydroxy-4-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10075568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).