N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide

C12H10BrN3O4S — CID 79736459

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C12H10BrN3O4S/c1-8-6-12(14-7-9(8)13)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyBYYYYLQQGDGNTK-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.86
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 79736459) has the molecular formula C12H10BrN3O4S and a molecular weight of 372.20 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID79736459
Molecular FormulaC12H10BrN3O4S
Molecular Weight372.20 g/mol
Exact Mass370.96
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C12H10BrN3O4S/c1-8-6-12(14-7-9(8)13)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyBYYYYLQQGDGNTK-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115750876
N-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
CID 103907930

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide (CID 79736459) is N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is BYYYYLQQGDGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O4S/c1-8-6-12(14-7-9(8)13)15-21(19,20)11-5-3-2-4-10(11)16(17)18/h2-7H,1H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide?
N-(5-bromo-4-methyl-2-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-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 79736459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).