4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide

C16H17N3O4S — CID 3304166

IUPAC4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-19(2)24(22,23)14-10-8-13(9-11-14)16(21)18-17-15(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,20)(H,18,21)
InChIKeyCECKPOVBZJKNAI-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.01
Rot. Bonds4

About 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide

4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 3304166) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
PubChem CID3304166
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-19(2)24(22,23)14-10-8-13(9-11-14)16(21)18-17-15(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,20)(H,18,21)
InChIKeyCECKPOVBZJKNAI-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.01
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

N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 9077663
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621

Frequently Asked Questions

What is the IUPAC name of 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide (CID 3304166) is 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is CECKPOVBZJKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-19(2)24(22,23)14-10-8-13(9-11-14)16(21)18-17-15(20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide?
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3304166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).