5-bromo-4-fluoro-2-nitrobenzenesulfonamide

C6H4BrFN2O4S — CID 86811673

IUPAC5-bromo-4-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O4S/c7-3-1-6(15(9,13)14)5(10(11)12)2-4(3)8/h1-2H,(H2,9,13,14)
InChIKeyZRLUOYFSJJILOO-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.14
Rot. Bonds2

About 5-bromo-4-fluoro-2-nitrobenzenesulfonamide

5-bromo-4-fluoro-2-nitrobenzenesulfonamide (PubChem CID 86811673) has the molecular formula C6H4BrFN2O4S and a molecular weight of 299.08 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-nitrobenzenesulfonamide
PubChem CID86811673
Molecular FormulaC6H4BrFN2O4S
Molecular Weight299.08 g/mol
Exact Mass297.91
IUPAC Name5-bromo-4-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O4S/c7-3-1-6(15(9,13)14)5(10(11)12)2-4(3)8/h1-2H,(H2,9,13,14)
InChIKeyZRLUOYFSJJILOO-UHFFFAOYSA-N
XLogP1.14
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.14
H-Bond Donors ≤ 51
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

2-Amino-5-bromobenzenesulfonamide
CID 820700
4-Bromo-2-nitrobenzenesulfonamide
CID 522924
5-Fluoro-2-nitrobenzene-1-sulfonamide
CID 60996093
3-Bromo-2-nitrobenzene-1-sulfonamide
CID 99771087
N-(4-bromo-2-fluorophenyl)-4-nitrobenzenesulfonamide
CID 3274154
5-Bromo-2-nitrobenzenesulfonyl chloride
CID 45791725
2-Bromo-4-fluoro-5-nitrobenzene-1-sulfonyl chloride
CID 56828023
5-Bromo-4-fluoro-2-nitrobenzene-1-sulfonyl chloride
CID 86775488
2-Bromo-6-nitrobenzene-1-sulfonamide
CID 99771089
N-(4-bromo-2-fluorophenyl)-3-nitrobenzenesulfonamide
CID 2953074
4-Fluoro-2-nitrobenzene-1-sulfonamide
CID 16793289
N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 43255338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of 5-bromo-4-fluoro-2-nitrobenzenesulfonamide (CID 86811673) is 5-bromo-4-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-bromo-4-fluoro-2-nitrobenzenesulfonamide is NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is ZRLUOYFSJJILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O4S/c7-3-1-6(15(9,13)14)5(10(11)12)2-4(3)8/h1-2H,(H2,9,13,14).
What are the key properties of 5-bromo-4-fluoro-2-nitrobenzenesulfonamide?
5-bromo-4-fluoro-2-nitrobenzenesulfonamide has a molecular weight of 299.08 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 86811673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).