N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

C21H19Cl2N3O3S — CID 55465626

IUPACN-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2N3O3S/c1-12-7-8-15(30(28,29)26-19-6-4-3-5-13(19)2)11-16(12)21(27)25-14-9-17(22)20(24)18(23)10-14/h3-11,26H,24H2,1-2H3,(H,25,27)
InChIKeyUHIOQDAJTRFEKI-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.25
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 55465626) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID55465626
Molecular FormulaC21H19Cl2N3O3S
Molecular Weight464.37 g/mol
Exact Mass463.05
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2N3O3S/c1-12-7-8-15(30(28,29)26-19-6-4-3-5-13(19)2)11-16(12)21(27)25-14-9-17(22)20(24)18(23)10-14/h3-11,26H,24H2,1-2H3,(H,25,27)
InChIKeyUHIOQDAJTRFEKI-UHFFFAOYSA-N
XLogP5.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55869339
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684
2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223855
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 55465626) is N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UHIOQDAJTRFEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S/c1-12-7-8-15(30(28,29)26-19-6-4-3-5-13(19)2)11-16(12)21(27)25-14-9-17(22)20(24)18(23)10-14/h3-11,26H,24H2,1-2H3,(H,25,27).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 464.37 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55465626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).