N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide

C11H7BrFN3O4S — CID 102671865

IUPACN-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)c(F)c1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15)
InChIKeyNWMTXAQUQZLRSF-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.69
Rot. Bonds4

About N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide

N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide (PubChem CID 102671865) has the molecular formula C11H7BrFN3O4S and a molecular weight of 376.16 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
PubChem CID102671865
Molecular FormulaC11H7BrFN3O4S
Molecular Weight376.16 g/mol
Exact Mass374.93
IUPAC NameN-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)c(F)c1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15)
InChIKeyNWMTXAQUQZLRSF-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-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102990213
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564848
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 63903274
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327698
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide (CID 102671865) is N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)c(F)c1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is NWMTXAQUQZLRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide?
N-(4-bromo-2-pyridinyl)-2-fluoro-4-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 N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 102671865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).