2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide

C80H63Cl5F3N15O9S2 — CID 162203276

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1
InChIInChI=1S/C21H16ClF3N4O2.C21H16ClN5O.C20H16Cl2N2O3S.C18H15ClN4O3S/c1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27;1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19;1-27(25,26)23-17-8-5-12(11-21-17)18(24)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-10H,1-2H3,(H,26,30)(H,29,31);1-13H,14H2,(H,25,28);2-11H,12H2,1H3,(H,24,25);2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZRVZRVBGYDDSQV-UHFFFAOYSA-N
MW1676.87 g/mol
LogP17.30
Rot. Bonds19

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide (PubChem CID 162203276) has the molecular formula C80H63Cl5F3N15O9S2 and a molecular weight of 1676.87 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide
PubChem CID162203276
Molecular FormulaC80H63Cl5F3N15O9S2
Molecular Weight1676.87 g/mol
Exact Mass1673.28
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1
InChIInChI=1S/C21H16ClF3N4O2.C21H16ClN5O.C20H16Cl2N2O3S.C18H15ClN4O3S/c1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27;1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19;1-27(25,26)23-17-8-5-12(11-21-17)18(24)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-10H,1-2H3,(H,26,30)(H,29,31);1-13H,14H2,(H,25,28);2-11H,12H2,1H3,(H,24,25);2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyZRVZRVBGYDDSQV-UHFFFAOYSA-N
XLogP17.30
TPSA333.86 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms114
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001676.87
LogP ≤ 517.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide (CID 162203276) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide is CNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide?
The InChIKey is ZRVZRVBGYDDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2.C21H16ClN5O.C20H16Cl2N2O3S.C18H15ClN4O3S/c1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27;1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19;1-27(25,26)23-17-8-5-12(11-21-17)18(24)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-10H,1-2H3,(H,26,30)(H,29,31);1-13H,14H2,(H,25,28);2-11H,12H2,1H3,(H,24,25);2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide has a molecular weight of 1676.87 g/mol, XLogP of 17.30, 19 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 162203276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).