5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride

C6H2BrClFNO4S — CID 86775488

IUPAC5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H2BrClFNO4S/c7-3-1-6(15(8,13)14)5(10(11)12)2-4(3)9/h1-2H
InChIKeyMHSFBRRLRRIOHS-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.42
Rot. Bonds2

About 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride

5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride (PubChem CID 86775488) has the molecular formula C6H2BrClFNO4S and a molecular weight of 318.51 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
PubChem CID86775488
Molecular FormulaC6H2BrClFNO4S
Molecular Weight318.51 g/mol
Exact Mass316.86
IUPAC Name5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H2BrClFNO4S/c7-3-1-6(15(8,13)14)5(10(11)12)2-4(3)9/h1-2H
InChIKeyMHSFBRRLRRIOHS-UHFFFAOYSA-N
XLogP2.42
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.42
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

4-bromo-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 118845762
4-bromo-5-cyano-2-nitrobenzenesulfonyl chloride
CID 118811260
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 103484184
2-bromo-4-methoxy-5-nitrobenzenesulfonyl chloride
CID 171005589
4-bromo-5-chlorosulfonyl-2-nitrobenzoic acid
CID 22101406
2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
4-bromo-5-nitropyridine-2-sulfonyl chloride
CID 118845533
4-bromo-5-fluoro-2-nitrobenzoyl chloride
CID 124925511
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
N-(5-bromo-4-fluoro-2-nitrophenyl)sulfonyl-3-methoxybenzamide
CID 100724051
5-bromo-4-fluoro-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 116736900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride?
The IUPAC name of 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride (CID 86775488) is 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride?
The InChIKey is MHSFBRRLRRIOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClFNO4S/c7-3-1-6(15(8,13)14)5(10(11)12)2-4(3)9/h1-2H.
What are the key properties of 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride?
5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride has a molecular weight of 318.51 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 86775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).