2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide

C28H24Cl3N3O7S2 — CID 3655318

IUPAC2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C28H24Cl3N3O7S2/c1-40-25-15-14-22(16-26(25)41-2)43(38,39)34(20-10-6-18(29)7-11-20)17-27(35)32-19-8-12-21(13-9-19)42(36,37)33-24-5-3-4-23(30)28(24)31/h3-16,33H,17H2,1-2H3,(H,32,35)
InChIKeyZQXPLGKWERNPLK-UHFFFAOYSA-N
MW685.01 g/mol
LogP6.30
Rot. Bonds11

About 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide

2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 3655318) has the molecular formula C28H24Cl3N3O7S2 and a molecular weight of 685.01 g/mol. Its IUPAC name is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID3655318
Molecular FormulaC28H24Cl3N3O7S2
Molecular Weight685.01 g/mol
Exact Mass683.01
IUPAC Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C28H24Cl3N3O7S2/c1-40-25-15-14-22(16-26(25)41-2)43(38,39)34(20-10-6-18(29)7-11-20)17-27(35)32-19-8-12-21(13-9-19)42(36,37)33-24-5-3-4-23(30)28(24)31/h3-16,33H,17H2,1-2H3,(H,32,35)
InChIKeyZQXPLGKWERNPLK-UHFFFAOYSA-N
XLogP6.30
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.01
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126143002
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126173122
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179339
N-(2-bromophenyl)-2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1241981
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 53280087
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 21372845
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881682
2-(4-bromo-N-methylsulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 43882280
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide (CID 3655318) is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZQXPLGKWERNPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl3N3O7S2/c1-40-25-15-14-22(16-26(25)41-2)43(38,39)34(20-10-6-18(29)7-11-20)17-27(35)32-19-8-12-21(13-9-19)42(36,37)33-24-5-3-4-23(30)28(24)31/h3-16,33H,17H2,1-2H3,(H,32,35).
What are the key properties of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide?
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 685.01 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3655318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).