3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide

C15H20N4O3S — CID 3903324

IUPAC3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(21,22)14-6-3-5-13(11-14)15(20)17-7-4-9-19-10-8-16-12-19/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,17,20)
InChIKeyXNOAFCYWQIKGAQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.95
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide

3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 3903324) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID3903324
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H20N4O3S/c1-18(2)23(21,22)14-6-3-5-13(11-14)15(20)17-7-4-9-19-10-8-16-12-19/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,17,20)
InChIKeyXNOAFCYWQIKGAQ-UHFFFAOYSA-N
XLogP0.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide (CID 3903324) is 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is XNOAFCYWQIKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18(2)23(21,22)14-6-3-5-13(11-14)15(20)17-7-4-9-19-10-8-16-12-19/h3,5-6,8,10-12H,4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 336.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 3903324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).