2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide

C26H33NO5S — CID 67675771

About 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide

2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide (PubChem CID 67675771) has the molecular formula C26H33NO5S and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide
• PubChem CID: 67675771
• Molecular Formula: C26H33NO5S
• Molecular Weight: 471.62 g/mol
• Exact Mass: 471.21
• IUPAC Name: 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide
• SMILES: CCCC1(CCC)CC(O)=C(C(CC)c2ccccc2-c2ccccc2S(N)(=O)=O)C(=O)O1
• InChI: InChI=1S/C26H33NO5S/c1-4-15-26(16-5-2)17-22(28)24(25(29)32-26)18(6-3)19-11-7-8-12-20(19)21-13-9-10-14-23(21)33(27,30)31/h7-14,18,28H,4-6,15-17H2,1-3H3,(H2,27,30,31)
• InChIKey: KVMULCVMHCBDSN-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 106.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.62
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide (CID 67675771) is 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide.

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

The canonical SMILES for 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide is CCCC1(CCC)CC(O)=C(C(CC)c2ccccc2-c2ccccc2S(N)(=O)=O)C(=O)O1.

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

The InChIKey is KVMULCVMHCBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5S/c1-4-15-26(16-5-2)17-22(28)24(25(29)32-26)18(6-3)19-11-7-8-12-20(19)21-13-9-10-14-23(21)33(27,30)31/h7-14,18,28H,4-6,15-17H2,1-3H3,(H2,27,30,31).

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

2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide has a molecular weight of 471.62 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 67675771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).