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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide

C116H120Cl4N14O19S5 — CID 158402863

IUPACN-[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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=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(-c3cnccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/2C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C17H23Cl2NO4S/c1-20(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;1-20(31)14-22-4-2-5-23(15-22)19-30(34(32,33)25-6-3-11-27-16-25)18-21-7-9-24(10-8-21)26-17-28-12-13-29-26;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/h2-14,16-17H,15,18-19H2,1H3;2-13,15-17H,14,18-19H2,1H3;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+
InChIKeyGYHWEUZLPQSUNV-XGCMBJNFSA-N
MW2316.46 g/mol
LogP19.91
Rot. Bonds50

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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 158402863) 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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID158402863
Molecular FormulaC116H120Cl4N14O19S5
Molecular Weight2316.46 g/mol
Exact Mass2312.62
IUPAC NameN-[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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESCC(=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(-c3cnccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/2C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C17H23Cl2NO4S/c1-20(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;1-20(31)14-22-4-2-5-23(15-22)19-30(34(32,33)25-6-3-11-27-16-25)18-21-7-9-24(10-8-21)26-17-28-12-13-29-26;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/h2-14,16-17H,15,18-19H2,1H3;2-13,15-17H,14,18-19H2,1H3;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+
InChIKeyGYHWEUZLPQSUNV-XGCMBJNFSA-N
XLogP19.91
TPSA415.53 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.46
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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'}

Analyze 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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[3-(5-acetylthiophen-2-yl)propyl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]methanesulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158686578
4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 90699384
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 91506824
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 158378219
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
N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-5-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyridin-2-ylphenyl)methyl]pyridine-3-sulfonamide
CID 161504054

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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (CID 158402863) 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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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(-c3cnccn3)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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is GYHWEUZLPQSUNV-XGCMBJNFSA-N. The full InChI is InChI=1S/2C26H24N4O3S.C24H27N3O4S.C23H22Cl2N2O5S.C17H23Cl2NO4S/c1-20(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;1-20(31)14-22-4-2-5-23(15-22)19-30(34(32,33)25-6-3-11-27-16-25)18-21-7-9-24(10-8-21)26-17-28-12-13-29-26;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/h2-14,16-17H,15,18-19H2,1H3;2-13,15-17H,14,18-19H2,1H3;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;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;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 158402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).