1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea

C11H16FN3O3S — CID 79162190

IUPAC1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-15(4-2)11(16)14-10-6-5-8(7-9(10)12)19(13,17)18/h5-7H,3-4H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyRCGKHQZNOCFBPV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds4

About 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea

1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea (PubChem CID 79162190) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
PubChem CID79162190
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FN3O3S/c1-3-15(4-2)11(16)14-10-6-5-8(7-9(10)12)19(13,17)18/h5-7H,3-4H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyRCGKHQZNOCFBPV-UHFFFAOYSA-N
XLogP1.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea (CID 79162190) is 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea is CCN(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea?
The InChIKey is RCGKHQZNOCFBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-15(4-2)11(16)14-10-6-5-8(7-9(10)12)19(13,17)18/h5-7H,3-4H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea?
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea has a molecular weight of 289.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea is sourced from PubChem (CID 79162190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).