5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide

C20H23N3O5S — CID 59928596

About 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide

5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide (PubChem CID 59928596) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide
• PubChem CID: 59928596
• Molecular Formula: C20H23N3O5S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.14
• IUPAC Name: 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide
• SMILES: CC(C1=C(O)CC(C)(C)OC1=O)c1cccc(NS(=O)(=O)c2ccc(N)cn2)c1
• InChI: InChI=1S/C20H23N3O5S/c1-12(18-16(24)10-20(2,3)28-19(18)25)13-5-4-6-15(9-13)23-29(26,27)17-8-7-14(21)11-22-17/h4-9,11-12,23-24H,10,21H2,1-3H3
• InChIKey: KXHQQMMGKPTVKK-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 131.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide?

The IUPAC name of 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide (CID 59928596) is 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide.

What is the SMILES notation for 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide?

The canonical SMILES for 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide is CC(C1=C(O)CC(C)(C)OC1=O)c1cccc(NS(=O)(=O)c2ccc(N)cn2)c1.

What is the InChIKey of 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide?

The InChIKey is KXHQQMMGKPTVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12(18-16(24)10-20(2,3)28-19(18)25)13-5-4-6-15(9-13)23-29(26,27)17-8-7-14(21)11-22-17/h4-9,11-12,23-24H,10,21H2,1-3H3.

What are the key properties of 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide?

5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide has a molecular weight of 417.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[3-[1-(4-hydroxy-2,2-dimethyl-6-oxo-3H-pyran-5-yl)ethyl]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 59928596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).