1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea

C16H18FN3O3S — CID 55739918

IUPAC1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20(2)24(22,23)15-8-6-12(7-9-15)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H2,18,19,21)
InChIKeyBRRIIKJYFDAXDG-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.40
Rot. Bonds5

About 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea

1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 55739918) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
PubChem CID55739918
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20(2)24(22,23)15-8-6-12(7-9-15)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H2,18,19,21)
InChIKeyBRRIIKJYFDAXDG-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 47038787
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519718
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 47038741
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(4-ethylsulfonylphenyl)methyl]-3-(3-iodophenyl)urea
CID 166202270
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea (CID 55739918) is 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea is CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is BRRIIKJYFDAXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-20(2)24(22,23)15-8-6-12(7-9-15)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea?
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 351.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 55739918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).