4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide

C18H19N3O3S — CID 109058795

IUPAC4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-3-12-20-25(23,24)17-10-6-15(7-11-17)18(22)21-16-8-4-14(13-19)5-9-16/h4-11,20H,2-3,12H2,1H3,(H,21,22)
InChIKeyVPTBFZLWGQXLIP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.89
Rot. Bonds7

About 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide

4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide (PubChem CID 109058795) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
PubChem CID109058795
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-3-12-20-25(23,24)17-10-6-15(7-11-17)18(22)21-16-8-4-14(13-19)5-9-16/h4-11,20H,2-3,12H2,1H3,(H,21,22)
InChIKeyVPTBFZLWGQXLIP-UHFFFAOYSA-N
XLogP2.89
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.89
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

N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
5-cyano-2-[[4-(propylsulfamoyl)benzoyl]amino]benzoic acid
CID 142865977
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-[4-(butylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 2186552
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The IUPAC name of 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide (CID 109058795) is 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide is CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The InChIKey is VPTBFZLWGQXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-3-12-20-25(23,24)17-10-6-15(7-11-17)18(22)21-16-8-4-14(13-19)5-9-16/h4-11,20H,2-3,12H2,1H3,(H,21,22).
What are the key properties of 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide?
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 109058795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).