N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C26H24F3N3O6S — CID 155084059

IUPACN-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C26H24F3N3O6S/c1-16(33)31-14-19(30-39(35,36)18-12-10-17(11-13-18)38-26(27,28)29)25(34)22(15-31)32-20-6-2-4-8-23(20)37-24-9-5-3-7-21(24)32/h2-13,19,22,25,30,34H,14-15H2,1H3
InChIKeyJHHXWYLGNPGWCY-UHFFFAOYSA-N
MW563.55 g/mol
LogP3.77
Rot. Bonds5

About N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155084059) has the molecular formula C26H24F3N3O6S and a molecular weight of 563.55 g/mol. Its IUPAC name is N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID155084059
Molecular FormulaC26H24F3N3O6S
Molecular Weight563.55 g/mol
Exact Mass563.13
IUPAC NameN-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(=O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C26H24F3N3O6S/c1-16(33)31-14-19(30-39(35,36)18-12-10-17(11-13-18)38-26(27,28)29)25(34)22(15-31)32-20-6-2-4-8-23(20)37-24-9-5-3-7-21(24)32/h2-13,19,22,25,30,34H,14-15H2,1H3
InChIKeyJHHXWYLGNPGWCY-UHFFFAOYSA-N
XLogP3.77
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 155084059) is N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is CC(=O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(N2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JHHXWYLGNPGWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O6S/c1-16(33)31-14-19(30-39(35,36)18-12-10-17(11-13-18)38-26(27,28)29)25(34)22(15-31)32-20-6-2-4-8-23(20)37-24-9-5-3-7-21(24)32/h2-13,19,22,25,30,34H,14-15H2,1H3.
What are the key properties of N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 563.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155084059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).