4-amino-3-bromo-5-fluorobenzenesulfonamide

C6H6BrFN2O2S — CID 10869299

IUPAC4-amino-3-bromo-5-fluorobenzenesulfonamide
SMILESNc1c(F)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyGKYQTYGVQVABPW-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.82
Rot. Bonds1

About 4-amino-3-bromo-5-fluorobenzenesulfonamide

4-amino-3-bromo-5-fluorobenzenesulfonamide (PubChem CID 10869299) has the molecular formula C6H6BrFN2O2S and a molecular weight of 269.10 g/mol. Its IUPAC name is 4-amino-3-bromo-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-5-fluorobenzenesulfonamide
PubChem CID10869299
Molecular FormulaC6H6BrFN2O2S
Molecular Weight269.10 g/mol
Exact Mass267.93
IUPAC Name4-amino-3-bromo-5-fluorobenzenesulfonamide
SMILESNc1c(F)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyGKYQTYGVQVABPW-UHFFFAOYSA-N
XLogP0.82
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-5-fluorobenzenesulfonamide (CID 10869299) is 4-amino-3-bromo-5-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-5-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-5-fluorobenzenesulfonamide is Nc1c(F)cc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 4-amino-3-bromo-5-fluorobenzenesulfonamide?
The InChIKey is GKYQTYGVQVABPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-3-bromo-5-fluorobenzenesulfonamide?
4-amino-3-bromo-5-fluorobenzenesulfonamide has a molecular weight of 269.10 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-fluorobenzenesulfonamide is sourced from PubChem (CID 10869299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).