2-amino-3-bromo-5-fluorobenzenesulfonamide

C6H6BrFN2O2S — CID 178143031

IUPAC2-amino-3-bromo-5-fluorobenzenesulfonamide
SMILESNc1c(Br)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C6H6BrFN2O2S/c7-4-1-3(8)2-5(6(4)9)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyLJKJLGBNZUAYFW-UHFFFAOYSA-N
MW269.09 g/mol
LogP0.82
Rot. Bonds1

About 2-amino-3-bromo-5-fluorobenzenesulfonamide

2-amino-3-bromo-5-fluorobenzenesulfonamide (PubChem CID 178143031) has the molecular formula C6H6BrFN2O2S and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-amino-3-bromo-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-bromo-5-fluorobenzenesulfonamide
PubChem CID178143031
Molecular FormulaC6H6BrFN2O2S
Molecular Weight269.09 g/mol
Exact Mass267.93
IUPAC Name2-amino-3-bromo-5-fluorobenzenesulfonamide
SMILESNc1c(Br)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C6H6BrFN2O2S/c7-4-1-3(8)2-5(6(4)9)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyLJKJLGBNZUAYFW-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 ≤ 500269.09
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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Related Compounds

4-Amino-3,5-dibromobenzenesulfonamide
CID 3084733
4-Amino-3-bromobenzene-1-sulfonamide
CID 3526523
4-Amino-3-bromo-5-fluorobenzene-1-sulfonamide
CID 10869299
4-Amino-3-bromo-5-iodobenzene-1-sulfonamide
CID 11036198
3-Bromo-4-(nonafluorobutane-1-sulfonylamino)-benzenesulfonamide
CID 10697562
4'-Fluoro-2'-bromobenzenesulfonanilide
CID 871861
2-Amino-5-bromobenzenesulfonamide
CID 820700
2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
4-Amino-3-bromobenzene-1-sulfonyl fluoride
CID 18930966
3-Bromo-4-trifluoromethanesulfonylamino-benzenesulfonamide
CID 10738713
2-Amino-3-fluorobenzene-1-sulfonamide
CID 57751044
3-Bromo-2-nitrobenzene-1-sulfonamide
CID 99771087

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-3-bromo-5-fluorobenzenesulfonamide (CID 178143031) is 2-amino-3-bromo-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-3-bromo-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-3-bromo-5-fluorobenzenesulfonamide is Nc1c(Br)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-bromo-5-fluorobenzenesulfonamide?
The InChIKey is LJKJLGBNZUAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O2S/c7-4-1-3(8)2-5(6(4)9)13(10,11)12/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 2-amino-3-bromo-5-fluorobenzenesulfonamide?
2-amino-3-bromo-5-fluorobenzenesulfonamide has a molecular weight of 269.09 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 2-amino-3-bromo-5-fluorobenzenesulfonamide is sourced from PubChem (CID 178143031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).