2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide

C12H10BrFN2O3S — CID 79467354

IUPAC2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2ccc(Br)cc2F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10BrFN2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyZQJNSUXPVVGFGU-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide

2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide (PubChem CID 79467354) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
PubChem CID79467354
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2ccc(Br)cc2F)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10BrFN2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyZQJNSUXPVVGFGU-UHFFFAOYSA-N
XLogP2.61
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
CID 114671687
4-(4-bromo-2-fluorophenoxy)-3-nitrobenzenesulfonamide
CID 9112472
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide (CID 79467354) is 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide is Nc1cc(Oc2ccc(Br)cc2F)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide?
The InChIKey is ZQJNSUXPVVGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide?
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 79467354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).