N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide

C11H8BrN3O4S — CID 43520632

IUPACN-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1
InChIInChI=1S/C11H8BrN3O4S/c12-10-2-1-3-11(13-10)14-20(18,19)9-6-4-8(5-7-9)15(16)17/h1-7H,(H,13,14)
InChIKeyGESPBHQXHTVIMU-UHFFFAOYSA-N
MW358.17 g/mol
LogP2.55
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide

N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide (PubChem CID 43520632) has the molecular formula C11H8BrN3O4S and a molecular weight of 358.17 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
PubChem CID43520632
Molecular FormulaC11H8BrN3O4S
Molecular Weight358.17 g/mol
Exact Mass356.94
IUPAC NameN-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1
InChIInChI=1S/C11H8BrN3O4S/c12-10-2-1-3-11(13-10)14-20(18,19)9-6-4-8(5-7-9)15(16)17/h1-7H,(H,13,14)
InChIKeyGESPBHQXHTVIMU-UHFFFAOYSA-N
XLogP2.55
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43520687
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43520660
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-(5-methoxy-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 67305769
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide (CID 43520632) is N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide?
The InChIKey is GESPBHQXHTVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O4S/c12-10-2-1-3-11(13-10)14-20(18,19)9-6-4-8(5-7-9)15(16)17/h1-7H,(H,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide?
N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide has a molecular weight of 358.17 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 43520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).