2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide

C23H23Cl2N3O6S2 — CID 43880107

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H23Cl2N3O6S2/c1-15-19(25)5-4-6-20(15)27-36(32,33)18-10-8-17(9-11-18)26-23(29)14-28(35(3,30)31)21-13-16(24)7-12-22(21)34-2/h4-13,27H,14H2,1-3H3,(H,26,29)
InChIKeyKJRCADOJALRIHM-UHFFFAOYSA-N
MW572.49 g/mol
LogP4.52
Rot. Bonds9

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880107) has the molecular formula C23H23Cl2N3O6S2 and a molecular weight of 572.49 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880107
Molecular FormulaC23H23Cl2N3O6S2
Molecular Weight572.49 g/mol
Exact Mass571.04
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H23Cl2N3O6S2/c1-15-19(25)5-4-6-20(15)27-36(32,33)18-10-8-17(9-11-18)26-23(29)14-28(35(3,30)31)21-13-16(24)7-12-22(21)34-2/h4-13,27H,14H2,1-3H3,(H,26,29)
InChIKeyKJRCADOJALRIHM-UHFFFAOYSA-N
XLogP4.52
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880562
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126413055
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43882420
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 5025306
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880667
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881682
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881662
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (CID 43880107) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is KJRCADOJALRIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O6S2/c1-15-19(25)5-4-6-20(15)27-36(32,33)18-10-8-17(9-11-18)26-23(29)14-28(35(3,30)31)21-13-16(24)7-12-22(21)34-2/h4-13,27H,14H2,1-3H3,(H,26,29).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 572.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).