N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

C27H33ClN2O7S — CID 23818284

About N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (PubChem CID 23818284) has the molecular formula C27H33ClN2O7S and a molecular weight of 565.09 g/mol. Its IUPAC name is N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
• PubChem CID: 23818284
• Molecular Formula: C27H33ClN2O7S
• Molecular Weight: 565.09 g/mol
• Exact Mass: 564.17
• IUPAC Name: N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(Cl)cc3)C=C(C(=O)N3CCCC3)O2)cc1
• InChI: InChI=1S/C27H33ClN2O7S/c1-35-23-8-10-24(11-9-23)38(33,34)30(14-16-31)15-17-36-26-19-21(20-4-6-22(28)7-5-20)18-25(37-26)27(32)29-12-2-3-13-29/h4-11,18,21,26,31H,2-3,12-17,19H2,1H3/t21-,26+/m0/s1
• InChIKey: HBSUIKWXJFWBMB-HFZDXXHNSA-N
• XLogP: 3.38
• TPSA: 105.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.09
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?

The IUPAC name of N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide (CID 23818284) is N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide.

What is the SMILES notation for N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?

The canonical SMILES for N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc(Cl)cc3)C=C(C(=O)N3CCCC3)O2)cc1.

What is the InChIKey of N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?

The InChIKey is HBSUIKWXJFWBMB-HFZDXXHNSA-N. The full InChI is InChI=1S/C27H33ClN2O7S/c1-35-23-8-10-24(11-9-23)38(33,34)30(14-16-31)15-17-36-26-19-21(20-4-6-22(28)7-5-20)18-25(37-26)27(32)29-12-2-3-13-29/h4-11,18,21,26,31H,2-3,12-17,19H2,1H3/t21-,26+/m0/s1.

What are the key properties of N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide?

N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide has a molecular weight of 565.09 g/mol, XLogP of 3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2R,4R)-4-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 23818284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).