N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide

C21H21N3O3S — CID 7760850

IUPACN,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-23(2)28(26,27)20-15-13-17(14-16-20)21(25)22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,22,25)
InChIKeyCDBHCEYMIRMVSS-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.42
Rot. Bonds6

About N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide

N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide (PubChem CID 7760850) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
PubChem CID7760850
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-23(2)28(26,27)20-15-13-17(14-16-20)21(25)22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,22,25)
InChIKeyCDBHCEYMIRMVSS-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
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-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-[(N-phenylanilino)carbamoyl]benzoic acid
CID 154425336
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 113057197
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-[benzamido(phenyl)sulfamoyl]benzoate
CID 7730483
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide (CID 7760850) is N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide?
The InChIKey is CDBHCEYMIRMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-23(2)28(26,27)20-15-13-17(14-16-20)21(25)22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,22,25).
What are the key properties of N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide?
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 7760850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).