1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea

C8H10FN3O3S — CID 116646026

IUPAC1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C8H10FN3O3S/c1-11-8(13)12-16(14,15)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeyCDIHJPJBLNZVBU-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.03
Rot. Bonds2

About 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea

1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea (PubChem CID 116646026) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
PubChem CID116646026
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C8H10FN3O3S/c1-11-8(13)12-16(14,15)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeyCDIHJPJBLNZVBU-UHFFFAOYSA-N
XLogP0.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 104827294
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea?
The IUPAC name of 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea (CID 116646026) is 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea is CNC(=O)NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea?
The InChIKey is CDIHJPJBLNZVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c1-11-8(13)12-16(14,15)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea?
1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea has a molecular weight of 247.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea is sourced from PubChem (CID 116646026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).