N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide

C12H12N4O4S — CID 60792562

IUPACN-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H12N4O4S/c1-8-2-4-10(16(17)18)6-11(8)21(19,20)15-9-3-5-12(13)14-7-9/h2-7,15H,1H3,(H2,13,14)
InChIKeyVCYRFSIXURXPDK-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.68
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide

N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 60792562) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
PubChem CID60792562
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC NameN-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H12N4O4S/c1-8-2-4-10(16(17)18)6-11(8)21(19,20)15-9-3-5-12(13)14-7-9/h2-7,15H,1H3,(H2,13,14)
InChIKeyVCYRFSIXURXPDK-UHFFFAOYSA-N
XLogP1.68
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide
CID 60790657
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-methyl-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985268
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 16962790

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide (CID 60792562) is N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is VCYRFSIXURXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-8-2-4-10(16(17)18)6-11(8)21(19,20)15-9-3-5-12(13)14-7-9/h2-7,15H,1H3,(H2,13,14).
What are the key properties of N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide?
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 60792562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).