6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide

C26H30ClN3O6S — CID 164627982

About 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 164627982) has the molecular formula C26H30ClN3O6S and a molecular weight of 548.06 g/mol. Its IUPAC name is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide
• PubChem CID: 164627982
• Molecular Formula: C26H30ClN3O6S
• Molecular Weight: 548.06 g/mol
• Exact Mass: 547.15
• IUPAC Name: 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide
• SMILES: CN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Oc2ccc(OCCO)cc2)c1
• InChI: InChI=1S/C26H30ClN3O6S/c1-29(2)37(32,33)24-17-25(36-22-9-7-20(8-10-22)34-16-15-31)26(28-18-24)30-13-11-23(12-14-30)35-21-5-3-19(27)4-6-21/h3-10,17-18,23,31H,11-16H2,1-2H3
• InChIKey: ISXUBRLVUBCAIT-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 101.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.06
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide?

The IUPAC name of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide (CID 164627982) is 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide.

What is the SMILES notation for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide?

The canonical SMILES for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Oc2ccc(OCCO)cc2)c1.

What is the InChIKey of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide?

The InChIKey is ISXUBRLVUBCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O6S/c1-29(2)37(32,33)24-17-25(36-22-9-7-20(8-10-22)34-16-15-31)26(28-18-24)30-13-11-23(12-14-30)35-21-5-3-19(27)4-6-21/h3-10,17-18,23,31H,11-16H2,1-2H3.

What are the key properties of 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide?

6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 548.06 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-chlorophenoxy)piperidin-1-yl]-5-[4-(2-hydroxyethoxy)phenoxy]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 164627982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).