2-bromo-5-nitrobenzenesulfonyl fluoride

C6H3BrFNO4S — CID 125455005

IUPAC2-bromo-5-nitrobenzenesulfonyl fluoride
SMILESO=[N+]([O-])c1ccc(Br)c(S(=O)(=O)F)c1
InChIInChI=1S/C6H3BrFNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H
InChIKeyXLQXQYYCYUQZID-UHFFFAOYSA-N
MW284.06 g/mol
LogP2.02
Rot. Bonds2

About 2-bromo-5-nitrobenzenesulfonyl fluoride

2-bromo-5-nitrobenzenesulfonyl fluoride (PubChem CID 125455005) has the molecular formula C6H3BrFNO4S and a molecular weight of 284.06 g/mol. Its IUPAC name is 2-bromo-5-nitrobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-bromo-5-nitrobenzenesulfonyl fluoride
PubChem CID125455005
Molecular FormulaC6H3BrFNO4S
Molecular Weight284.06 g/mol
Exact Mass282.90
IUPAC Name2-bromo-5-nitrobenzenesulfonyl fluoride
SMILESO=[N+]([O-])c1ccc(Br)c(S(=O)(=O)F)c1
InChIInChI=1S/C6H3BrFNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H
InChIKeyXLQXQYYCYUQZID-UHFFFAOYSA-N
XLogP2.02
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonyl fluoride, 3-nitro-
CID 67683
N-(4-Bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
2-Bromo-5-nitrobenzene-1-sulfonyl chloride
CID 4738384
4-Bromo-3-nitrobenzene-1-sulfonyl chloride
CID 21654332
2-Bromo-4-nitrobenzene-1-sulfonyl chloride
CID 23470366
3-Bromo-4-nitrobenzenesulfonyl chloride
CID 45791566
3-Bromo-5-nitrobenzene-1-sulfonyl chloride
CID 50987295
4-Bromo-3-nitrobenzene-1-sulfonamide
CID 71756345
2-Bromo-6-nitrobenzenesulphonyl chloride
CID 99771082
1-Bromo-2-methanesulfonyl-4-nitrobenzene
CID 45156960
5-Bromo-2-nitrobenzenesulfonyl chloride
CID 45791725
2-Bromo-4-fluoro-5-nitrobenzene-1-sulfonyl chloride
CID 56828023

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitrobenzenesulfonyl fluoride?
The IUPAC name of 2-bromo-5-nitrobenzenesulfonyl fluoride (CID 125455005) is 2-bromo-5-nitrobenzenesulfonyl fluoride.
What is the SMILES notation for 2-bromo-5-nitrobenzenesulfonyl fluoride?
The canonical SMILES for 2-bromo-5-nitrobenzenesulfonyl fluoride is O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)F)c1.
What is the InChIKey of 2-bromo-5-nitrobenzenesulfonyl fluoride?
The InChIKey is XLQXQYYCYUQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H.
What are the key properties of 2-bromo-5-nitrobenzenesulfonyl fluoride?
2-bromo-5-nitrobenzenesulfonyl fluoride has a molecular weight of 284.06 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitrobenzenesulfonyl fluoride is sourced from PubChem (CID 125455005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).