1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea

C10H11BrFN3O3S — CID 116646477

IUPAC1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C10H11BrFN3O3S/c11-7-3-5(13)4-8(9(7)12)19(17,18)15-10(16)14-6-1-2-6/h3-4,6H,1-2,13H2,(H2,14,15,16)
InChIKeyZJASMDVXQCFNJW-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.32
Rot. Bonds3

About 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea

1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea (PubChem CID 116646477) has the molecular formula C10H11BrFN3O3S and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea.

Molecular Properties

Compound Name1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea
PubChem CID116646477
Molecular FormulaC10H11BrFN3O3S
Molecular Weight352.19 g/mol
Exact Mass350.97
IUPAC Name1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C10H11BrFN3O3S/c11-7-3-5(13)4-8(9(7)12)19(17,18)15-10(16)14-6-1-2-6/h3-4,6H,1-2,13H2,(H2,14,15,16)
InChIKeyZJASMDVXQCFNJW-UHFFFAOYSA-N
XLogP1.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
CID 106006732
(3R,4S)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 107213202
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595
5-amino-3-bromo-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103460051
5-amino-3-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142080
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
1-(3-amino-4,5-dimethylphenyl)sulfonyl-3-cyclopropylurea
CID 116646439
[(2R)-1-(5-amino-3-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212249
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
1-(5-amino-2-bromophenyl)sulfonyl-3-butylurea
CID 116645811
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea?
The IUPAC name of 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea (CID 116646477) is 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea.
What is the SMILES notation for 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea?
The canonical SMILES for 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea is Nc1cc(Br)c(F)c(S(=O)(=O)NC(=O)NC2CC2)c1.
What is the InChIKey of 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea?
The InChIKey is ZJASMDVXQCFNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3S/c11-7-3-5(13)4-8(9(7)12)19(17,18)15-10(16)14-6-1-2-6/h3-4,6H,1-2,13H2,(H2,14,15,16).
What are the key properties of 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea?
1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea has a molecular weight of 352.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-bromo-2-fluorophenyl)sulfonyl-3-cyclopropylurea is sourced from PubChem (CID 116646477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).