4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide

C20H19N3O3S — CID 78774991

IUPAC4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-10-6-3-7-11-18)27(25,26)19-14-12-16(13-15-19)20(24)22-21-17-8-4-2-5-9-17/h2-15,21H,1H3,(H,22,24)
InChIKeyLOFKXJGQYCYIGM-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.27
Rot. Bonds6

About 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide

4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 78774991) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
PubChem CID78774991
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-10-6-3-7-11-18)27(25,26)19-14-12-16(13-15-19)20(24)22-21-17-8-4-2-5-9-17/h2-15,21H,1H3,(H,22,24)
InChIKeyLOFKXJGQYCYIGM-UHFFFAOYSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfonyl-N'-phenylbenzohydrazide
CID 15453816
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528

Frequently Asked Questions

What is the IUPAC name of 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide (CID 78774991) is 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is LOFKXJGQYCYIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(18-10-6-3-7-11-18)27(25,26)19-14-12-16(13-15-19)20(24)22-21-17-8-4-2-5-9-17/h2-15,21H,1H3,(H,22,24).
What are the key properties of 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide?
4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 78774991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).