2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide

C67H64Cl4N8O10S2 — CID 158307642

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide (PubChem CID 158307642) has the molecular formula C67H64Cl4N8O10S2 and a molecular weight of 1347.24 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide
• PubChem CID: 158307642
• Molecular Formula: C67H64Cl4N8O10S2
• Molecular Weight: 1347.24 g/mol
• Exact Mass: 1344.29
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide
• SMILES: CC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.C[C@@H](O)CNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C23H24ClN3O3S.C22H19Cl2N3O3.C22H21ClN2O4S/c1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20;1-15(26)13-30(28,29)14-16-5-7-17(8-6-16)22(27)25-18-9-10-20(23)19(12-18)21-4-2-3-11-24-21/h3-12,15H,13-14,16H2,1-2H3,(H,26,28);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);2-12,15,26H,13-14H2,1H3,(H,25,27)/t;13-;/m.1./s1
• InChIKey: GNGYJJOQFSQYOG-KKJSLATMSA-N
• XLogP: 12.50
• TPSA: 267.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1347.24
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide (CID 158307642) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide is CC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.C[C@@H](O)CNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?

The InChIKey is GNGYJJOQFSQYOG-KKJSLATMSA-N. The full InChI is InChI=1S/C23H24ClN3O3S.C22H19Cl2N3O3.C22H21ClN2O4S/c1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20;1-15(26)13-30(28,29)14-16-5-7-17(8-6-16)22(27)25-18-9-10-20(23)19(12-18)21-4-2-3-11-24-21/h3-12,15H,13-14,16H2,1-2H3,(H,26,28);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);2-12,15,26H,13-14H2,1H3,(H,25,27)/t;13-;/m.1./s1.

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide has a molecular weight of 1347.24 g/mol, XLogP of 12.50, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide is sourced from PubChem (CID 158307642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).