N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)

C116H120Cl4N14O19S5 — CID 159464242

About N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)

N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide) (PubChem CID 159464242) has the molecular formula C116H120Cl4N14O19S5 and a molecular weight of 2316.46 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide).

Molecular Properties

• Compound Name: N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)
• PubChem CID: 159464242
• Molecular Formula: C116H120Cl4N14O19S5
• Molecular Weight: 2316.46 g/mol
• Exact Mass: 2312.62
• IUPAC Name: N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)
• SMILES: CC(=O)COCCCCN(C/C=C/c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(CCOc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1
• InChI: InChI=1S/2C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C17H23Cl2NO4S/c2*1-20(31)15-22-5-2-6-23(16-22)19-30(34(32,33)25-7-3-12-27-17-25)18-21-8-10-24(11-9-21)26-28-13-4-14-29-26;1-19(28)18-31-23-7-4-6-21(14-23)17-27(32(29,30)24-8-5-13-25-15-24)16-20-9-11-22(12-10-20)26(2)3;1-17(28)16-32-21-5-2-4-18(10-21)15-27(33(29,30)23-6-3-7-26-14-23)8-9-31-22-12-19(24)11-20(25)13-22;1-14(21)13-24-9-4-3-7-20(25(2,22)23)8-5-6-15-10-16(18)12-17(19)11-15/h2*2-14,16-17H,15,18-19H2,1H3;4-15H,16-18H2,1-3H3;2-7,10-14H,8-9,15-16H2,1H3;5-6,10-12H,3-4,7-9,13H2,1-2H3/b;;;;6-5+
• InChIKey: LUZBDRXERDYBAM-XGCMBJNFSA-N
• XLogP: 19.91
• TPSA: 415.53 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2316.46
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)?

The IUPAC name of N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide) (CID 159464242) is N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide).

What is the SMILES notation for N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)?

The canonical SMILES for N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide) is CC(=O)COCCCCN(C/C=C/c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(CCOc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.

What is the InChIKey of N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)?

The InChIKey is LUZBDRXERDYBAM-XGCMBJNFSA-N. The full InChI is InChI=1S/2C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C17H23Cl2NO4S/c2*1-20(31)15-22-5-2-6-23(16-22)19-30(34(32,33)25-7-3-12-27-17-25)18-21-8-10-24(11-9-21)26-28-13-4-14-29-26;1-19(28)18-31-23-7-4-6-21(14-23)17-27(32(29,30)24-8-5-13-25-15-24)16-20-9-11-22(12-10-20)26(2)3;1-17(28)16-32-21-5-2-4-18(10-21)15-27(33(29,30)23-6-3-7-26-14-23)8-9-31-22-12-19(24)11-20(25)13-22;1-14(21)13-24-9-4-3-7-20(25(2,22)23)8-5-6-15-10-16(18)12-17(19)11-15/h2*2-14,16-17H,15,18-19H2,1H3;4-15H,16-18H2,1-3H3;2-7,10-14H,8-9,15-16H2,1H3;5-6,10-12H,3-4,7-9,13H2,1-2H3/b;;;;6-5+.

What are the key properties of N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)?

N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide) has a molecular weight of 2316.46 g/mol, XLogP of 19.91, 50 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide) is sourced from PubChem (CID 159464242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).