2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide

C104H89Cl7N10O18S5 — CID 157424751

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
SMILESC=CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCCO)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1Cl
InChIInChI=1S/C21H18Cl2N2O4S.C21H19ClN2O4S.C21H19ClN2O3S.C21H17ClN2O3S.C20H16Cl2N2O4S/c22-18-8-5-14(12-17(18)20-4-1-2-9-24-20)25-21(27)16-7-6-15(13-19(16)23)30(28,29)11-3-10-26;1-28-12-13-29(26,27)17-8-5-15(6-9-17)21(25)24-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20;2*1-2-13-28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(14-16)20-5-3-4-12-23-20;21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)29(27,28)10-9-25/h1-2,4-9,12-13,26H,3,10-11H2,(H,25,27);2-11,14H,12-13H2,1H3,(H,24,25);3-12,14H,2,13H2,1H3,(H,24,25);2-12,14H,1,13H2,(H,24,25);1-8,11-12,25H,9-10H2,(H,24,26)
InChIKeyBPVFGPRXILAAPB-UHFFFAOYSA-N
MW2175.41 g/mol
LogP22.06
Rot. Bonds32

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide (PubChem CID 157424751) has the molecular formula C104H89Cl7N10O18S5 and a molecular weight of 2175.41 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
PubChem CID157424751
Molecular FormulaC104H89Cl7N10O18S5
Molecular Weight2175.41 g/mol
Exact Mass2170.28
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
SMILESC=CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCCO)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1Cl
InChIInChI=1S/C21H18Cl2N2O4S.C21H19ClN2O4S.C21H19ClN2O3S.C21H17ClN2O3S.C20H16Cl2N2O4S/c22-18-8-5-14(12-17(18)20-4-1-2-9-24-20)25-21(27)16-7-6-15(13-19(16)23)30(28,29)11-3-10-26;1-28-12-13-29(26,27)17-8-5-15(6-9-17)21(25)24-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20;2*1-2-13-28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(14-16)20-5-3-4-12-23-20;21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)29(27,28)10-9-25/h1-2,4-9,12-13,26H,3,10-11H2,(H,25,27);2-11,14H,12-13H2,1H3,(H,24,25);3-12,14H,2,13H2,1H3,(H,24,25);2-12,14H,1,13H2,(H,24,25);1-8,11-12,25H,9-10H2,(H,24,26)
InChIKeyBPVFGPRXILAAPB-UHFFFAOYSA-N
XLogP22.06
TPSA430.34 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.41
LogP ≤ 522.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide 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-quinoxalin-2-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 158195392
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
CID 158294820
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
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159088662
N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide
CID 159182297
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-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159933061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide (CID 157424751) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide is C=CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCCO)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The InChIKey is BPVFGPRXILAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S.C21H19ClN2O4S.C21H19ClN2O3S.C21H17ClN2O3S.C20H16Cl2N2O4S/c22-18-8-5-14(12-17(18)20-4-1-2-9-24-20)25-21(27)16-7-6-15(13-19(16)23)30(28,29)11-3-10-26;1-28-12-13-29(26,27)17-8-5-15(6-9-17)21(25)24-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20;2*1-2-13-28(26,27)17-9-6-15(7-10-17)21(25)24-16-8-11-19(22)18(14-16)20-5-3-4-12-23-20;21-17-7-4-13(11-16(17)19-3-1-2-8-23-19)24-20(26)15-6-5-14(12-18(15)22)29(27,28)10-9-25/h1-2,4-9,12-13,26H,3,10-11H2,(H,25,27);2-11,14H,12-13H2,1H3,(H,24,25);3-12,14H,2,13H2,1H3,(H,24,25);2-12,14H,1,13H2,(H,24,25);1-8,11-12,25H,9-10H2,(H,24,26).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide has a molecular weight of 2175.41 g/mol, XLogP of 22.06, 32 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-prop-2-enylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide is sourced from PubChem (CID 157424751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).