1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea

C10H14FN3O3S — CID 107326249

IUPAC1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C10H14FN3O3S/c1-5-4-7(11)8(12)6(2)9(5)18(16,17)14-10(15)13-3/h4H,12H2,1-3H3,(H2,13,14,15)
InChIKeyVINAOGIKXUJWAL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.64
Rot. Bonds2

About 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea

1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea (PubChem CID 107326249) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea.

Molecular Properties

Compound Name1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea
PubChem CID107326249
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C10H14FN3O3S/c1-5-4-7(11)8(12)6(2)9(5)18(16,17)14-10(15)13-3/h4H,12H2,1-3H3,(H2,13,14,15)
InChIKeyVINAOGIKXUJWAL-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea?
The IUPAC name of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea (CID 107326249) is 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea.
What is the SMILES notation for 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea?
The canonical SMILES for 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea is CNC(=O)NS(=O)(=O)c1c(C)cc(F)c(N)c1C.
What is the InChIKey of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea?
The InChIKey is VINAOGIKXUJWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-5-4-7(11)8(12)6(2)9(5)18(16,17)14-10(15)13-3/h4H,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea?
1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea has a molecular weight of 275.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea is sourced from PubChem (CID 107326249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).