1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea

C11H14FN3O3S — CID 116658850

IUPAC1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(F)c(NC(=O)NC2CCC2)c1
InChIInChI=1S/C11H14FN3O3S/c12-9-5-4-8(19(13,17)18)6-10(9)15-11(16)14-7-2-1-3-7/h4-7H,1-3H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyWSXSSDYTBAEXPT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.15
Rot. Bonds3

About 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea

1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea (PubChem CID 116658850) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
PubChem CID116658850
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(F)c(NC(=O)NC2CCC2)c1
InChIInChI=1S/C11H14FN3O3S/c12-9-5-4-8(19(13,17)18)6-10(9)15-11(16)14-7-2-1-3-7/h4-7H,1-3H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyWSXSSDYTBAEXPT-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
N-(2-fluoro-5-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107182876
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-fluoro-5-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62803145
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea (CID 116658850) is 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(F)c(NC(=O)NC2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea?
The InChIKey is WSXSSDYTBAEXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-9-5-4-8(19(13,17)18)6-10(9)15-11(16)14-7-2-1-3-7/h4-7H,1-3H2,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea?
1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea has a molecular weight of 287.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea is sourced from PubChem (CID 116658850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).