2-[(4-fluorophenyl)sulfonylamino]ethylurea

C9H12FN3O3S — CID 78994332

IUPAC2-[(4-fluorophenyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3O3S/c10-7-1-3-8(4-2-7)17(15,16)13-6-5-12-9(11)14/h1-4,13H,5-6H2,(H3,11,12,14)
InChIKeyJFRDFMZYAOOYEI-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.23
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonylamino]ethylurea

2-[(4-fluorophenyl)sulfonylamino]ethylurea (PubChem CID 78994332) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]ethylurea
PubChem CID78994332
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3O3S/c10-7-1-3-8(4-2-7)17(15,16)13-6-5-12-9(11)14/h1-4,13H,5-6H2,(H3,11,12,14)
InChIKeyJFRDFMZYAOOYEI-UHFFFAOYSA-N
XLogP-0.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(bromomethyl)phenyl]sulfonylamino]ethylurea
CID 83115023
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonylamino]ethylurea
CID 83117043
(E)-3-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 83112109
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]ethylurea (CID 78994332) is 2-[(4-fluorophenyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]ethylurea is NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]ethylurea?
The InChIKey is JFRDFMZYAOOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c10-7-1-3-8(4-2-7)17(15,16)13-6-5-12-9(11)14/h1-4,13H,5-6H2,(H3,11,12,14).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]ethylurea?
2-[(4-fluorophenyl)sulfonylamino]ethylurea has a molecular weight of 261.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]ethylurea is sourced from PubChem (CID 78994332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).