N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

C72H55Cl6N11O10S4 — CID 158806741

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C20H18ClN3O3S.C18H14ClN3O3S.C17H10Cl3N3O.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;18-13-6-4-10(9-12(13)14-3-1-2-8-21-14)22-17(24)11-5-7-15(19)23-16(11)20;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);1-11H,(H,22,23)(H2,20,24,25);1-9H,(H,22,24);2-10H,1H3,(H,20,21)
InChIKeyIUDZUHWUMVWZOQ-UHFFFAOYSA-N
MW1575.28 g/mol
LogP16.68
Rot. Bonds16

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 158806741) has the molecular formula C72H55Cl6N11O10S4 and a molecular weight of 1575.28 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID158806741
Molecular FormulaC72H55Cl6N11O10S4
Molecular Weight1575.28 g/mol
Exact Mass1571.11
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C20H18ClN3O3S.C18H14ClN3O3S.C17H10Cl3N3O.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;18-13-6-4-10(9-12(13)14-3-1-2-8-21-14)22-17(24)11-5-7-15(19)23-16(11)20;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);1-11H,(H,22,23)(H2,20,24,25);1-9H,(H,22,24);2-10H,1H3,(H,20,21)
InChIKeyIUDZUHWUMVWZOQ-UHFFFAOYSA-N
XLogP16.68
TPSA312.53 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001575.28
LogP ≤ 516.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide (CID 158806741) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)s1.NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is IUDZUHWUMVWZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S.C18H14ClN3O3S.C17H10Cl3N3O.C17H13ClN2O3S2/c1-24(2)28(26,27)16-9-6-14(7-10-16)20(25)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19;19-16-9-6-13(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-7-14(8-5-12)26(20,24)25;18-13-6-4-10(9-12(13)14-3-1-2-8-21-14)22-17(24)11-5-7-15(19)23-16(11)20;1-25(22,23)16-8-7-15(24-16)17(21)20-11-5-6-13(18)12(10-11)14-4-2-3-9-19-14/h3-13H,1-2H3,(H,23,25);1-11H,(H,22,23)(H2,20,24,25);1-9H,(H,22,24);2-10H,1H3,(H,20,21).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 1575.28 g/mol, XLogP of 16.68, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158806741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).