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

C11H16FN3O3S — CID 107326248

IUPAC1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C11H16FN3O3S/c1-4-14-11(16)15-19(17,18)10-6(2)5-8(12)9(13)7(10)3/h5H,4,13H2,1-3H3,(H2,14,15,16)
InChIKeyYVKWENLVHHQQBD-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.03
Rot. Bonds3

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

1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea (PubChem CID 107326248) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea
PubChem CID107326248
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C11H16FN3O3S/c1-4-14-11(16)15-19(17,18)10-6(2)5-8(12)9(13)7(10)3/h5H,4,13H2,1-3H3,(H2,14,15,16)
InChIKeyYVKWENLVHHQQBD-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.03
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-ethylurea?
The IUPAC name of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea (CID 107326248) is 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea.
What is the SMILES notation for 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea?
The canonical SMILES for 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea is CCNC(=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-ethylurea?
The InChIKey is YVKWENLVHHQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-4-14-11(16)15-19(17,18)10-6(2)5-8(12)9(13)7(10)3/h5H,4,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea?
1-(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea has a molecular weight of 289.33 g/mol, XLogP of 1.03, 3 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-ethylurea is sourced from PubChem (CID 107326248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).