3-bromo-4-fluoro-2-nitrobenzenesulfonamide

C6H4BrFN2O4S — CID 131342277

IUPAC3-bromo-4-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O4S/c7-5-3(8)1-2-4(15(9,13)14)6(5)10(11)12/h1-2H,(H2,9,13,14)
InChIKeySGKOEQGEHPMTSY-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.14
Rot. Bonds2

About 3-bromo-4-fluoro-2-nitrobenzenesulfonamide

3-bromo-4-fluoro-2-nitrobenzenesulfonamide (PubChem CID 131342277) has the molecular formula C6H4BrFN2O4S and a molecular weight of 299.08 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-2-nitrobenzenesulfonamide
PubChem CID131342277
Molecular FormulaC6H4BrFN2O4S
Molecular Weight299.08 g/mol
Exact Mass297.91
IUPAC Name3-bromo-4-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O4S/c7-5-3(8)1-2-4(15(9,13)14)6(5)10(11)12/h1-2H,(H2,9,13,14)
InChIKeySGKOEQGEHPMTSY-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-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
3,6-difluoro-2-nitrobenzenesulfonamide
CID 171030354
2-bromo-4-fluoro-3-nitroaniline
CID 119019567
3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552
2,4-dimethyl-3-nitrobenzenesulfonamide
CID 118990328
3-fluoro-2-methyl-4-nitrobenzenesulfonamide
CID 135743403
2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 171000749
2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
ethyl 2-(3-bromo-4-fluoro-2-nitrophenyl)acetate
CID 134632868
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of 3-bromo-4-fluoro-2-nitrobenzenesulfonamide (CID 131342277) is 3-bromo-4-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-bromo-4-fluoro-2-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(F)c(Br)c1[N+](=O)[O-].
What is the InChIKey of 3-bromo-4-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is SGKOEQGEHPMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O4S/c7-5-3(8)1-2-4(15(9,13)14)6(5)10(11)12/h1-2H,(H2,9,13,14).
What are the key properties of 3-bromo-4-fluoro-2-nitrobenzenesulfonamide?
3-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 3-bromo-4-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 131342277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).