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

C25H33N3O5S — CID 70081353

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

5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide (PubChem CID 70081353) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide
• PubChem CID: 70081353
• Molecular Formula: C25H33N3O5S
• Molecular Weight: 487.62 g/mol
• Exact Mass: 487.21
• IUPAC Name: 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide
• SMILES: CCCC1(CCC)CC(O)=C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1
• InChI: InChI=1S/C25H33N3O5S/c1-4-12-25(13-5-2)15-21(29)23(24(30)33-25)20(6-3)17-8-7-9-19(14-17)28-34(31,32)22-11-10-18(26)16-27-22/h7-11,14,16,20,28-29H,4-6,12-13,15,26H2,1-3H3/t20-/m0/s1
• InChIKey: FOKFSZVDQCHCLO-FQEVSTJZSA-N
• XLogP: 5.06
• TPSA: 131.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.62
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide (CID 70081353) is 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide.

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

The canonical SMILES for 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide is CCCC1(CCC)CC(O)=C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1.

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

The InChIKey is FOKFSZVDQCHCLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-4-12-25(13-5-2)15-21(29)23(24(30)33-25)20(6-3)17-8-7-9-19(14-17)28-34(31,32)22-11-10-18(26)16-27-22/h7-11,14,16,20,28-29H,4-6,12-13,15,26H2,1-3H3/t20-/m0/s1.

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

5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide has a molecular weight of 487.62 g/mol, XLogP of 5.06, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[3-[(1S)-1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 70081353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).