4-[4-(dimethylsulfamoyl)anilino]butanamide

C12H19N3O3S — CID 60863966

IUPAC4-[4-(dimethylsulfamoyl)anilino]butanamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14H,3-4,9H2,1-2H3,(H2,13,16)
InChIKeyJVDXBMWEGKIPFL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.61
Rot. Bonds7

About 4-[4-(dimethylsulfamoyl)anilino]butanamide

4-[4-(dimethylsulfamoyl)anilino]butanamide (PubChem CID 60863966) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)anilino]butanamide.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)anilino]butanamide
PubChem CID60863966
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[4-(dimethylsulfamoyl)anilino]butanamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14H,3-4,9H2,1-2H3,(H2,13,16)
InChIKeyJVDXBMWEGKIPFL-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)anilino]butanamide?
The IUPAC name of 4-[4-(dimethylsulfamoyl)anilino]butanamide (CID 60863966) is 4-[4-(dimethylsulfamoyl)anilino]butanamide.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)anilino]butanamide?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)anilino]butanamide is CN(C)S(=O)(=O)c1ccc(NCCCC(N)=O)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)anilino]butanamide?
The InChIKey is JVDXBMWEGKIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(2)19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14H,3-4,9H2,1-2H3,(H2,13,16).
What are the key properties of 4-[4-(dimethylsulfamoyl)anilino]butanamide?
4-[4-(dimethylsulfamoyl)anilino]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)anilino]butanamide is sourced from PubChem (CID 60863966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).