N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide

C25H28F2N4O5S — CID 90419070

IUPACN-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2OC(F)F)CC1
InChIInChI=1S/C25H28F2N4O5S/c1-16(2)15-25(33)8-12-31(13-9-25)23(32)18-7-6-17(14-20(18)36-24(26)27)30-37(34,35)21-5-3-4-19-22(21)29-11-10-28-19/h3-7,10-11,14,16,24,30,33H,8-9,12-13,15H2,1-2H3
InChIKeyUZTZRFUFOQSYLV-UHFFFAOYSA-N
MW534.59 g/mol
LogP4.05
Rot. Bonds8

About N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide

N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide (PubChem CID 90419070) has the molecular formula C25H28F2N4O5S and a molecular weight of 534.59 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
PubChem CID90419070
Molecular FormulaC25H28F2N4O5S
Molecular Weight534.59 g/mol
Exact Mass534.17
IUPAC NameN-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2OC(F)F)CC1
InChIInChI=1S/C25H28F2N4O5S/c1-16(2)15-25(33)8-12-31(13-9-25)23(32)18-7-6-17(14-20(18)36-24(26)27)30-37(34,35)21-5-3-4-19-22(21)29-11-10-28-19/h3-7,10-11,14,16,24,30,33H,8-9,12-13,15H2,1-2H3
InChIKeyUZTZRFUFOQSYLV-UHFFFAOYSA-N
XLogP4.05
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide (CID 90419070) is N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide is CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2OC(F)F)CC1.
What is the InChIKey of N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The InChIKey is UZTZRFUFOQSYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O5S/c1-16(2)15-25(33)8-12-31(13-9-25)23(32)18-7-6-17(14-20(18)36-24(26)27)30-37(34,35)21-5-3-4-19-22(21)29-11-10-28-19/h3-7,10-11,14,16,24,30,33H,8-9,12-13,15H2,1-2H3.
What are the key properties of N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide has a molecular weight of 534.59 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 90419070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).