N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

C87H82Cl4N12O12S3 — CID 158580336

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/2C22H20ClN3O4S.C22H22ClN3O3S.C21H20ClN3O/c23-20-8-7-17(15-19(20)21-6-1-2-9-24-21)25-22(27)16-4-3-5-18(14-16)31(28,29)26-10-12-30-13-11-26;23-20-9-6-17(15-19(20)21-3-1-2-10-24-21)25-22(27)16-4-7-18(8-5-16)31(28,29)26-11-13-30-14-12-26;1-15(2)14-25-30(28,29)18-7-5-6-16(12-18)22(27)26-17-9-10-20(23)19(13-17)21-8-3-4-11-24-21;1-25(2)14-15-6-8-16(9-7-15)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20/h1-9,14-15H,10-13H2,(H,25,27);1-10,15H,11-14H2,(H,25,27);3-13,15,25H,14H2,1-2H3,(H,26,27);3-13H,14H2,1-2H3,(H,24,26)
InChIKeyHTEGARJUGQXHGZ-UHFFFAOYSA-N
MW1725.70 g/mol
LogP16.65
Rot. Bonds22

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 158580336) has the molecular formula C87H82Cl4N12O12S3 and a molecular weight of 1725.70 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID158580336
Molecular FormulaC87H82Cl4N12O12S3
Molecular Weight1725.70 g/mol
Exact Mass1722.41
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/2C22H20ClN3O4S.C22H22ClN3O3S.C21H20ClN3O/c23-20-8-7-17(15-19(20)21-6-1-2-9-24-21)25-22(27)16-4-3-5-18(14-16)31(28,29)26-10-12-30-13-11-26;23-20-9-6-17(15-19(20)21-3-1-2-10-24-21)25-22(27)16-4-7-18(8-5-16)31(28,29)26-11-13-30-14-12-26;1-15(2)14-25-30(28,29)18-7-5-6-16(12-18)22(27)26-17-9-10-20(23)19(13-17)21-8-3-4-11-24-21;1-25(2)14-15-6-8-16(9-7-15)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20/h1-9,14-15H,10-13H2,(H,25,27);1-10,15H,11-14H2,(H,25,27);3-13,15,25H,14H2,1-2H3,(H,26,27);3-13H,14H2,1-2H3,(H,24,26)
InChIKeyHTEGARJUGQXHGZ-UHFFFAOYSA-N
XLogP16.65
TPSA310.59 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.70
LogP ≤ 516.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158303328
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158573984
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159981427
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 160351848
N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N-ethyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;methane;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;piperazin-1-yl-(3-propan-2-ylphenyl)methanone;4-propan-2-ylbenzenesulfonamide;N-(3-propan-2-ylphenyl)acetamide;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]piperazine;4-(4-propan-2-ylphenyl)sulfonylmorpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2,2,2-trifluoro-N-(3-propan-2-ylphenyl)acetamide
CID 160494463
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide);[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161057487
2-Tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161069300

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 158580336) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is CC(C)CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HTEGARJUGQXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20ClN3O4S.C22H22ClN3O3S.C21H20ClN3O/c23-20-8-7-17(15-19(20)21-6-1-2-9-24-21)25-22(27)16-4-3-5-18(14-16)31(28,29)26-10-12-30-13-11-26;23-20-9-6-17(15-19(20)21-3-1-2-10-24-21)25-22(27)16-4-7-18(8-5-16)31(28,29)26-11-13-30-14-12-26;1-15(2)14-25-30(28,29)18-7-5-6-16(12-18)22(27)26-17-9-10-20(23)19(13-17)21-8-3-4-11-24-21;1-25(2)14-15-6-8-16(9-7-15)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20/h1-9,14-15H,10-13H2,(H,25,27);1-10,15H,11-14H2,(H,25,27);3-13,15,25H,14H2,1-2H3,(H,26,27);3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 1725.70 g/mol, XLogP of 16.65, 22 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(2-methylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 158580336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).