3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

C106H94Cl4F3N17O13S3 — CID 161317977

About 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 161317977) has the molecular formula C106H94Cl4F3N17O13S3 and a molecular weight of 2109.03 g/mol. Its IUPAC name is 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

• Compound Name: 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
• PubChem CID: 161317977
• Molecular Formula: C106H94Cl4F3N17O13S3
• Molecular Weight: 2109.03 g/mol
• Exact Mass: 2105.51
• IUPAC Name: 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
• SMILES: CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)CN1CCCC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)c1ccccc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.N/C(=N\CCCc1cnc[nH]1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C28H22ClF3N4O4S.C27H22ClN3O4S.C26H27ClN4O4S.C25H23ClN6O/c1-16-20(9-11-25(34-16)28(30,31)32)27(38)36-24-13-17(6-7-18(24)15-41(2,39)40)26(37)35-19-8-10-22(29)21(14-19)23-5-3-4-12-33-23;1-36(34,35)17-20-11-10-19(15-25(20)31-26(32)18-7-3-2-4-8-18)27(33)30-21-12-13-23(28)22(16-21)24-9-5-6-14-29-24;1-36(34,35)17-19-8-7-18(14-24(19)30-25(32)16-31-12-4-5-13-31)26(33)29-20-9-10-22(27)21(15-20)23-6-2-3-11-28-23;26-22-11-10-19(14-21(22)23-5-1-2-12-29-23)32-25(33)18-8-6-17(7-9-18)24(27)30-13-3-4-20-15-28-16-31-20/h3-14H,15H2,1-2H3,(H,35,37)(H,36,38);2-16H,17H2,1H3,(H,30,33)(H,31,32);2-3,6-11,14-15H,4-5,12-13,16-17H2,1H3,(H,29,33)(H,30,32);1-2,5-12,14-16H,3-4,13H2,(H2,27,30)(H,28,31)(H,32,33)
• InChIKey: VJTFPXYINYXOEA-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 440.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.03
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?

The IUPAC name of 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 161317977) is 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

What is the SMILES notation for 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?

The canonical SMILES for 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)CN1CCCC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)c1ccccc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.N/C(=N\CCCc1cnc[nH]1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.

What is the InChIKey of 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?

The InChIKey is VJTFPXYINYXOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4O4S.C27H22ClN3O4S.C26H27ClN4O4S.C25H23ClN6O/c1-16-20(9-11-25(34-16)28(30,31)32)27(38)36-24-13-17(6-7-18(24)15-41(2,39)40)26(37)35-19-8-10-22(29)21(14-19)23-5-3-4-12-33-23;1-36(34,35)17-20-11-10-19(15-25(20)31-26(32)18-7-3-2-4-8-18)27(33)30-21-12-13-23(28)22(16-21)24-9-5-6-14-29-24;1-36(34,35)17-19-8-7-18(14-24(19)30-25(32)16-31-12-4-5-13-31)26(33)29-20-9-10-22(27)21(15-20)23-6-2-3-11-28-23;26-22-11-10-19(14-21(22)23-5-1-2-12-29-23)32-25(33)18-8-6-17(7-9-18)24(27)30-13-3-4-20-15-28-16-31-20/h3-14H,15H2,1-2H3,(H,35,37)(H,36,38);2-16H,17H2,1H3,(H,30,33)(H,31,32);2-3,6-11,14-15H,4-5,12-13,16-17H2,1H3,(H,29,33)(H,30,32);1-2,5-12,14-16H,3-4,13H2,(H2,27,30)(H,28,31)(H,32,33).

What are the key properties of 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?

3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 2109.03 g/mol, XLogP of 20.57, 30 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 161317977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).