1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea

C8H10FN3O3S — CID 78993821

IUPAC1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H10FN3O3S/c1-11-8(13)12-6-2-5(9)3-7(4-6)16(10,14)15/h2-4H,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKeyHGAULULEAUZQKQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.22
Rot. Bonds2

About 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea

1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea (PubChem CID 78993821) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
PubChem CID78993821
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H10FN3O3S/c1-11-8(13)12-6-2-5(9)3-7(4-6)16(10,14)15/h2-4H,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKeyHGAULULEAUZQKQ-UHFFFAOYSA-N
XLogP0.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
N-(3-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61132513
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
N-(3-fluoro-5-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 51975647
2,5-dichloro-N-(3-fluoro-5-sulfamoylphenyl)thiophene-3-carboxamide
CID 103727937
3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
CID 63687706
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
CID 116646026
1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
CID 55979660

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea?
The IUPAC name of 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea (CID 78993821) is 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea?
The canonical SMILES for 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea is CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea?
The InChIKey is HGAULULEAUZQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c1-11-8(13)12-6-2-5(9)3-7(4-6)16(10,14)15/h2-4H,1H3,(H2,10,14,15)(H2,11,12,13).
What are the key properties of 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea?
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea has a molecular weight of 247.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea is sourced from PubChem (CID 78993821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).