2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea

C11H17FN4O3S — CID 107326067

IUPAC2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C11H17FN4O3S/c1-6-5-8(12)9(13)7(2)10(6)20(18,19)16-4-3-15-11(14)17/h5,16H,3-4,13H2,1-2H3,(H3,14,15,17)
InChIKeyZNOXUMYPNXWAJF-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea

2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea (PubChem CID 107326067) has the molecular formula C11H17FN4O3S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea
PubChem CID107326067
Molecular FormulaC11H17FN4O3S
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C11H17FN4O3S/c1-6-5-8(12)9(13)7(2)10(6)20(18,19)16-4-3-15-11(14)17/h5,16H,3-4,13H2,1-2H3,(H3,14,15,17)
InChIKeyZNOXUMYPNXWAJF-UHFFFAOYSA-N
XLogP-0.03
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea (CID 107326067) is 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea is Cc1cc(F)c(N)c(C)c1S(=O)(=O)NCCNC(N)=O.
What is the InChIKey of 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea?
The InChIKey is ZNOXUMYPNXWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O3S/c1-6-5-8(12)9(13)7(2)10(6)20(18,19)16-4-3-15-11(14)17/h5,16H,3-4,13H2,1-2H3,(H3,14,15,17).
What are the key properties of 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea?
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea has a molecular weight of 304.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea is sourced from PubChem (CID 107326067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).