N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

C87H80Cl4N10O15S3 — CID 161036060

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C24H25ClN2O4S.C22H19ClN4O3.C21H19ClN2O4S.C20H17ClN2O4S/c1-16(2)14-31-23-12-17(7-8-18(23)15-32(3,29)30)24(28)27-19-9-10-21(25)20(13-19)22-6-4-5-11-26-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h4-13,16H,14-15H2,1-3H3,(H,27,28);1-8,13-14H,9-12H2,(H,26,28);3-12H,13H2,1-2H3,(H,24,25);2-11,24H,12H2,1H3,(H,23,25)
InChIKeyUAGMPABPRRRDAU-UHFFFAOYSA-N
MW1743.66 g/mol
LogP16.87
Rot. Bonds23

About N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 161036060) has the molecular formula C87H80Cl4N10O15S3 and a molecular weight of 1743.66 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
PubChem CID161036060
Molecular FormulaC87H80Cl4N10O15S3
Molecular Weight1743.66 g/mol
Exact Mass1740.37
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C24H25ClN2O4S.C22H19ClN4O3.C21H19ClN2O4S.C20H17ClN2O4S/c1-16(2)14-31-23-12-17(7-8-18(23)15-32(3,29)30)24(28)27-19-9-10-21(25)20(13-19)22-6-4-5-11-26-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h4-13,16H,14-15H2,1-3H3,(H,27,28);1-8,13-14H,9-12H2,(H,26,28);3-12H,13H2,1-2H3,(H,24,25);2-11,24H,12H2,1H3,(H,23,25)
InChIKeyUAGMPABPRRRDAU-UHFFFAOYSA-N
XLogP16.87
TPSA351.50 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.66
LogP ≤ 516.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (CID 161036060) is N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is CC(C)COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.COc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The InChIKey is UAGMPABPRRRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S.C22H19ClN4O3.C21H19ClN2O4S.C20H17ClN2O4S/c1-16(2)14-31-23-12-17(7-8-18(23)15-32(3,29)30)24(28)27-19-9-10-21(25)20(13-19)22-6-4-5-11-26-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-28-20-11-14(6-7-15(20)13-29(2,26)27)21(25)24-16-8-9-18(22)17(12-16)19-5-3-4-10-23-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h4-13,16H,14-15H2,1-3H3,(H,27,28);1-8,13-14H,9-12H2,(H,26,28);3-12H,13H2,1-2H3,(H,24,25);2-11,24H,12H2,1H3,(H,23,25).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 1743.66 g/mol, XLogP of 16.87, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropoxy)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 161036060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).