2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C17H18Cl2N2O3S — CID 4781543

IUPAC2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-4-6-13(10-16(11)25(23,24)21(2)3)20-17(22)9-12-5-7-14(18)15(19)8-12/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyCIBZECAENHZALH-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.73
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4781543) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4781543
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-4-6-13(10-16(11)25(23,24)21(2)3)20-17(22)9-12-5-7-14(18)15(19)8-12/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyCIBZECAENHZALH-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
2-(2-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 15945348
N-(3,4-Dichlorocinnamyl)-3-(4-(methylsulfonamido)-phenyl)propanamide
CID 46227102
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
2-(4-chlorophenyl)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 3911588
2-(2-chloro-6-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4876859
2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4881406
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 15945383
4-chloro-N-[4-(4-methyl-3-piperidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 16249584
4-chloro-N-[4-[4-methyl-3-(methylsulfamoyl)anilino]-4-oxobutyl]benzamide
CID 16304349
2-(4-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 16336246
2-(3,4-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
CID 24981103

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 4781543) is 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is CIBZECAENHZALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-4-6-13(10-16(11)25(23,24)21(2)3)20-17(22)9-12-5-7-14(18)15(19)8-12/h4-8,10H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4781543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).