2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide

C82H69Cl4IN12O12S3 — CID 159136163

IUPAC2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
SMILESCC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(I)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(N)c1
InChIInChI=1S/C23H21ClN4O2.C21H18ClN3O4S.C19H14ClIN2O3S.C19H16ClN3O3S/c1-27-12-13-28(22(29)15-27)18-8-5-16(6-9-18)23(30)26-17-7-10-20(24)19(14-17)21-4-2-3-11-25-21;1-13(26)24-20-12-15(30(2,28)29)7-8-16(20)21(27)25-14-6-9-18(22)17(11-14)19-5-3-4-10-23-19;2*1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11,14H,12-13,15H2,1H3,(H,26,30);3-12H,1-2H3,(H,24,26)(H,25,27);2-11H,1H3,(H,23,24);2-11H,21H2,1H3,(H,23,24)
InChIKeyKHNDBZASKCWWDK-UHFFFAOYSA-N
MW1779.44 g/mol
LogP16.25
Rot. Bonds17

About 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide

2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide (PubChem CID 159136163) has the molecular formula C82H69Cl4IN12O12S3 and a molecular weight of 1779.44 g/mol. Its IUPAC name is 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
PubChem CID159136163
Molecular FormulaC82H69Cl4IN12O12S3
Molecular Weight1779.44 g/mol
Exact Mass1776.21
IUPAC Name2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
SMILESCC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(I)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(N)c1
InChIInChI=1S/C23H21ClN4O2.C21H18ClN3O4S.C19H14ClIN2O3S.C19H16ClN3O3S/c1-27-12-13-28(22(29)15-27)18-8-5-16(6-9-18)23(30)26-17-7-10-20(24)19(14-17)21-4-2-3-11-25-21;1-13(26)24-20-12-15(30(2,28)29)7-8-16(20)21(27)25-14-6-9-18(22)17(11-14)19-5-3-4-10-23-19;2*1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11,14H,12-13,15H2,1H3,(H,26,30);3-12H,1-2H3,(H,24,26)(H,25,27);2-11H,1H3,(H,23,24);2-11H,21H2,1H3,(H,23,24)
InChIKeyKHNDBZASKCWWDK-UHFFFAOYSA-N
XLogP16.25
TPSA349.05 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.44
LogP ≤ 516.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 159805698
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
CID 158152681
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
2-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide
CID 70933669
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide?
The IUPAC name of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide (CID 159136163) is 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide.
What is the SMILES notation for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide?
The canonical SMILES for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide is CC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.CN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)C(=O)C1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(I)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(N)c1.
What is the InChIKey of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide?
The InChIKey is KHNDBZASKCWWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C21H18ClN3O4S.C19H14ClIN2O3S.C19H16ClN3O3S/c1-27-12-13-28(22(29)15-27)18-8-5-16(6-9-18)23(30)26-17-7-10-20(24)19(14-17)21-4-2-3-11-25-21;1-13(26)24-20-12-15(30(2,28)29)7-8-16(20)21(27)25-14-6-9-18(22)17(11-14)19-5-3-4-10-23-19;2*1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11,14H,12-13,15H2,1H3,(H,26,30);3-12H,1-2H3,(H,24,26)(H,25,27);2-11H,1H3,(H,23,24);2-11H,21H2,1H3,(H,23,24).
What are the key properties of 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide?
2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide has a molecular weight of 1779.44 g/mol, XLogP of 16.25, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide is sourced from PubChem (CID 159136163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).