2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide

C13H12N4O6S — CID 75449024

IUPAC2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C13H12N4O6S/c1-8-3-4-10(16(18)19)7-12(8)24(22,23)15-13-6-5-11(17(20)21)9(2)14-13/h3-7H,1-2H3,(H,14,15)
InChIKeyIPVKTWCBENFIBN-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.32
Rot. Bonds5

About 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide

2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide (PubChem CID 75449024) has the molecular formula C13H12N4O6S and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide
PubChem CID75449024
Molecular FormulaC13H12N4O6S
Molecular Weight352.33 g/mol
Exact Mass352.05
IUPAC Name2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C13H12N4O6S/c1-8-3-4-10(16(18)19)7-12(8)24(22,23)15-13-6-5-11(17(20)21)9(2)14-13/h3-7H,1-2H3,(H,14,15)
InChIKeyIPVKTWCBENFIBN-UHFFFAOYSA-N
XLogP2.32
TPSA145.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide (CID 75449024) is 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide?
The InChIKey is IPVKTWCBENFIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O6S/c1-8-3-4-10(16(18)19)7-12(8)24(22,23)15-13-6-5-11(17(20)21)9(2)14-13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide?
2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide has a molecular weight of 352.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-5-nitro-2-pyridinyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 75449024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).