[(4-fluorophenyl)sulfonylamino]urea

C7H8FN3O3S — CID 140574528

IUPAC[(4-fluorophenyl)sulfonylamino]urea
SMILESNC(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3O3S/c8-5-1-3-6(4-2-5)15(13,14)11-10-7(9)12/h1-4,11H,(H3,9,10,12)
InChIKeyBTTFXIGBFOWLNX-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.31
Rot. Bonds3

About [(4-fluorophenyl)sulfonylamino]urea

[(4-fluorophenyl)sulfonylamino]urea (PubChem CID 140574528) has the molecular formula C7H8FN3O3S and a molecular weight of 233.22 g/mol. Its IUPAC name is [(4-fluorophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name[(4-fluorophenyl)sulfonylamino]urea
PubChem CID140574528
Molecular FormulaC7H8FN3O3S
Molecular Weight233.22 g/mol
Exact Mass233.03
IUPAC Name[(4-fluorophenyl)sulfonylamino]urea
SMILESNC(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3O3S/c8-5-1-3-6(4-2-5)15(13,14)11-10-7(9)12/h1-4,11H,(H3,9,10,12)
InChIKeyBTTFXIGBFOWLNX-UHFFFAOYSA-N
XLogP-0.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841002
[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
1-[(4-fluorophenyl)sulfonylamino]-3-prop-2-enylthiourea
CID 2210355
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)sulfonylamino]urea?
The IUPAC name of [(4-fluorophenyl)sulfonylamino]urea (CID 140574528) is [(4-fluorophenyl)sulfonylamino]urea.
What is the SMILES notation for [(4-fluorophenyl)sulfonylamino]urea?
The canonical SMILES for [(4-fluorophenyl)sulfonylamino]urea is NC(=O)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)sulfonylamino]urea?
The InChIKey is BTTFXIGBFOWLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3S/c8-5-1-3-6(4-2-5)15(13,14)11-10-7(9)12/h1-4,11H,(H3,9,10,12).
What are the key properties of [(4-fluorophenyl)sulfonylamino]urea?
[(4-fluorophenyl)sulfonylamino]urea has a molecular weight of 233.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)sulfonylamino]urea is sourced from PubChem (CID 140574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).