N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C29H27Cl2N3O7S2 — CID 43881724

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H27Cl2N3O7S2/c1-19-7-12-23(13-8-19)43(38,39)34(26-17-21(40-2)11-16-27(26)41-3)18-28(35)32-20-9-14-22(15-10-20)42(36,37)33-25-6-4-5-24(30)29(25)31/h4-17,33H,18H2,1-3H3,(H,32,35)
InChIKeyFEKAXXFBAFLDAF-UHFFFAOYSA-N
MW664.59 g/mol
LogP5.95
Rot. Bonds11

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43881724) has the molecular formula C29H27Cl2N3O7S2 and a molecular weight of 664.59 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43881724
Molecular FormulaC29H27Cl2N3O7S2
Molecular Weight664.59 g/mol
Exact Mass663.07
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H27Cl2N3O7S2/c1-19-7-12-23(13-8-19)43(38,39)34(26-17-21(40-2)11-16-27(26)41-3)18-28(35)32-20-9-14-22(15-10-20)42(36,37)33-25-6-4-5-24(30)29(25)31/h4-17,33H,18H2,1-3H3,(H,32,35)
InChIKeyFEKAXXFBAFLDAF-UHFFFAOYSA-N
XLogP5.95
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.59
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880730
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880229
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3655318
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232287
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881682
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880107

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43881724) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is FEKAXXFBAFLDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N3O7S2/c1-19-7-12-23(13-8-19)43(38,39)34(26-17-21(40-2)11-16-27(26)41-3)18-28(35)32-20-9-14-22(15-10-20)42(36,37)33-25-6-4-5-24(30)29(25)31/h4-17,33H,18H2,1-3H3,(H,32,35).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 664.59 g/mol, XLogP of 5.95, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43881724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).