5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide

C12H10BrFN2O3S — CID 114671687

IUPAC5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
SMILESNc1ccc(Oc2cc(Br)ccc2F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10BrFN2O3S/c13-7-1-3-9(14)11(5-7)19-10-4-2-8(15)6-12(10)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyFCTNWSUKVIOZFX-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.61
Rot. Bonds3

About 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide

5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide (PubChem CID 114671687) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
PubChem CID114671687
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
SMILESNc1ccc(Oc2cc(Br)ccc2F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10BrFN2O3S/c13-7-1-3-9(14)11(5-7)19-10-4-2-8(15)6-12(10)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyFCTNWSUKVIOZFX-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

4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide
CID 114677162

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide?
The IUPAC name of 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide (CID 114671687) is 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide is Nc1ccc(Oc2cc(Br)ccc2F)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide?
The InChIKey is FCTNWSUKVIOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c13-7-1-3-9(14)11(5-7)19-10-4-2-8(15)6-12(10)20(16,17)18/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide?
5-amino-2-(5-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 5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 114671687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).