2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide

C88H77Cl7N10O11S2 — CID 157172677

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide (PubChem CID 157172677) has the molecular formula C88H77Cl7N10O11S2 and a molecular weight of 1762.95 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide
• PubChem CID: 157172677
• Molecular Formula: C88H77Cl7N10O11S2
• Molecular Weight: 1762.95 g/mol
• Exact Mass: 1758.30
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide
• SMILES: CC(C)S(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NC[C@@H]1CCCO1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
• InChI: InChI=1S/C24H21Cl2N3O3.C22H21ClN2O3S.C21H17Cl2N3O2.C21H18Cl2N2O3S/c25-20-9-7-16(13-19(20)22-5-1-2-10-27-22)29-24(31)18-8-6-15(12-21(18)26)23(30)28-14-17-4-3-11-32-17;1-15(2)29(27,28)14-16-6-8-17(9-7-16)22(26)25-18-10-11-20(23)19(13-18)21-5-3-4-12-24-21;1-2-24-20(27)13-6-8-15(18(23)11-13)21(28)26-14-7-9-17(22)16(12-14)19-5-3-4-10-25-19;1-2-29(27,28)13-14-6-8-16(19(23)11-14)21(26)25-15-7-9-18(22)17(12-15)20-5-3-4-10-24-20/h1-2,5-10,12-13,17H,3-4,11,14H2,(H,28,30)(H,29,31);3-13,15H,14H2,1-2H3,(H,25,26);3-12H,2H2,1H3,(H,24,27)(H,26,28);3-12H,2,13H2,1H3,(H,25,26)/t17-;;;/m0.../s1
• InChIKey: ANQPWCAQUUKGRD-FCQHKQNSSA-N
• XLogP: 20.49
• TPSA: 303.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.95
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide (CID 157172677) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide is CC(C)S(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(NC[C@@H]1CCCO1)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-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide?

The InChIKey is ANQPWCAQUUKGRD-FCQHKQNSSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3.C22H21ClN2O3S.C21H17Cl2N3O2.C21H18Cl2N2O3S/c25-20-9-7-16(13-19(20)22-5-1-2-10-27-22)29-24(31)18-8-6-15(12-21(18)26)23(30)28-14-17-4-3-11-32-17;1-15(2)29(27,28)14-16-6-8-17(9-7-16)22(26)25-18-10-11-20(23)19(13-18)21-5-3-4-12-24-21;1-2-24-20(27)13-6-8-15(18(23)11-13)21(28)26-14-7-9-17(22)16(12-14)19-5-3-4-10-25-19;1-2-29(27,28)13-14-6-8-16(19(23)11-14)21(26)25-15-7-9-18(22)17(12-15)20-5-3-4-10-24-20/h1-2,5-10,12-13,17H,3-4,11,14H2,(H,28,30)(H,29,31);3-13,15H,14H2,1-2H3,(H,25,26);3-12H,2H2,1H3,(H,24,27)(H,26,28);3-12H,2,13H2,1H3,(H,25,26)/t17-;;;/m0.../s1.

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide has a molecular weight of 1762.95 g/mol, XLogP of 20.49, 23 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-ethylbenzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(ethylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 157172677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).