N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide

C11H7BrFN3O4S — CID 107640867

IUPACN-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H7BrFN3O4S/c12-9-3-1-7(13)5-10(9)15-21(19,20)8-2-4-11(14-6-8)16(17)18/h1-6,15H
InChIKeySTMYBOAUFHXTSA-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.69
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide

N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide (PubChem CID 107640867) has the molecular formula C11H7BrFN3O4S and a molecular weight of 376.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide
PubChem CID107640867
Molecular FormulaC11H7BrFN3O4S
Molecular Weight376.16 g/mol
Exact Mass374.93
IUPAC NameN-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cn1
InChIInChI=1S/C11H7BrFN3O4S/c12-9-3-1-7(13)5-10(9)15-21(19,20)8-2-4-11(14-6-8)16(17)18/h1-6,15H
InChIKeySTMYBOAUFHXTSA-UHFFFAOYSA-N
XLogP2.69
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(3-chloro-2-hydroxyphenyl)-6-nitropyridine-3-sulfonamide
CID 81422182
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
N-(4-formylphenyl)-6-nitropyridine-3-sulfonamide
CID 106912832
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107630794

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide (CID 107640867) is N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cn1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide?
The InChIKey is STMYBOAUFHXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O4S/c12-9-3-1-7(13)5-10(9)15-21(19,20)8-2-4-11(14-6-8)16(17)18/h1-6,15H.
What are the key properties of N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide?
N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide has a molecular weight of 376.16 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 107640867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).