4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

C18H17FN4O3S — CID 55856122

IUPAC4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C18H17FN4O3S/c1-22(2)27(25,26)15-6-3-13(4-7-15)18(24)21-14-5-8-17(16(19)11-14)23-10-9-20-12-23/h3-12H,1-2H3,(H,21,24)
InChIKeyYRGMIDIXYANENG-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.51
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide

4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (PubChem CID 55856122) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
PubChem CID55856122
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C18H17FN4O3S/c1-22(2)27(25,26)15-6-3-13(4-7-15)18(24)21-14-5-8-17(16(19)11-14)23-10-9-20-12-23/h3-12H,1-2H3,(H,21,24)
InChIKeyYRGMIDIXYANENG-UHFFFAOYSA-N
XLogP2.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 55955653
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 60557245
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide (CID 55856122) is 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
The InChIKey is YRGMIDIXYANENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-22(2)27(25,26)15-6-3-13(4-7-15)18(24)21-14-5-8-17(16(19)11-14)23-10-9-20-12-23/h3-12H,1-2H3,(H,21,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide?
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 55856122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).