5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide

C11H7BrFN3O4S — CID 63903274

IUPAC5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-1-3-9(16(17)18)10(5-7)21(19,20)15-11-4-2-8(13)6-14-11/h1-6H,(H,14,15)
InChIKeyBMDQAEGEAZGMJD-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide

5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 63903274) has the molecular formula C11H7BrFN3O4S and a molecular weight of 376.16 g/mol. Its IUPAC name is 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID63903274
Molecular FormulaC11H7BrFN3O4S
Molecular Weight376.16 g/mol
Exact Mass374.93
IUPAC Name5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-1-3-9(16(17)18)10(5-7)21(19,20)15-11-4-2-8(13)6-14-11/h1-6H,(H,14,15)
InChIKeyBMDQAEGEAZGMJD-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

2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
5-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 61016944
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
N-(5-amino-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 43327262
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide (CID 63903274) is 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is BMDQAEGEAZGMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O4S/c12-7-1-3-9(16(17)18)10(5-7)21(19,20)15-11-4-2-8(13)6-14-11/h1-6H,(H,14,15).
What are the key properties of 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide?
5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide 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 5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 63903274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).