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

C24H28N4O5S — CID 136644709

IUPAC8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(O)c4nccnc34)cc2)CC1
InChIInChI=1S/C24H28N4O5S/c1-16(2)15-24(31)9-13-28(14-10-24)23(30)17-3-5-18(6-4-17)27-34(32,33)20-8-7-19(29)21-22(20)26-12-11-25-21/h3-8,11-12,16,27,29,31H,9-10,13-15H2,1-2H3
InChIKeyVGAROGVBHXILLP-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.15
Rot. Bonds6

About 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide

8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide (PubChem CID 136644709) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound Name8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
PubChem CID136644709
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
SMILESCC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(O)c4nccnc34)cc2)CC1
InChIInChI=1S/C24H28N4O5S/c1-16(2)15-24(31)9-13-28(14-10-24)23(30)17-3-5-18(6-4-17)27-34(32,33)20-8-7-19(29)21-22(20)26-12-11-25-21/h3-8,11-12,16,27,29,31H,9-10,13-15H2,1-2H3
InChIKeyVGAROGVBHXILLP-UHFFFAOYSA-N
XLogP3.15
TPSA132.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The IUPAC name of 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide (CID 136644709) is 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The canonical SMILES for 8-hydroxy-N-[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)c3ccc(O)c4nccnc34)cc2)CC1.
What is the InChIKey of 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
The InChIKey is VGAROGVBHXILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16(2)15-24(31)9-13-28(14-10-24)23(30)17-3-5-18(6-4-17)27-34(32,33)20-8-7-19(29)21-22(20)26-12-11-25-21/h3-8,11-12,16,27,29,31H,9-10,13-15H2,1-2H3.
What are the key properties of 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide?
8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 136644709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).