N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide

C12H10BrN3O4S — CID 103907930

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O4S/c1-8-9(6-7-12(13)14-8)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7,15H,1H3
InChIKeyJOYBKAADIRJBRW-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.86
Rot. Bonds4

About N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 103907930) has the molecular formula C12H10BrN3O4S and a molecular weight of 372.20 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID103907930
Molecular FormulaC12H10BrN3O4S
Molecular Weight372.20 g/mol
Exact Mass370.96
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O4S/c1-8-9(6-7-12(13)14-8)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7,15H,1H3
InChIKeyJOYBKAADIRJBRW-UHFFFAOYSA-N
XLogP2.86
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide (CID 103907930) is N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is JOYBKAADIRJBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O4S/c1-8-9(6-7-12(13)14-8)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7,15H,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide has a molecular weight of 372.20 g/mol, XLogP of 2.86, 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-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 103907930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).