5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide

C11H11N5O4S — CID 60989473

IUPAC5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2)c1
InChIInChI=1S/C11H11N5O4S/c12-14-9-1-2-10(16(17)18)11(7-9)21(19,20)15-8-3-5-13-6-4-8/h1-7,14H,12H2,(H,13,15)
InChIKeyNQKOSVKSGXLFAR-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.08
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide

5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 60989473) has the molecular formula C11H11N5O4S and a molecular weight of 309.31 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID60989473
Molecular FormulaC11H11N5O4S
Molecular Weight309.31 g/mol
Exact Mass309.05
IUPAC Name5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2)c1
InChIInChI=1S/C11H11N5O4S/c12-14-9-1-2-10(16(17)18)11(7-9)21(19,20)15-8-3-5-13-6-4-8/h1-7,14H,12H2,(H,13,15)
InChIKeyNQKOSVKSGXLFAR-UHFFFAOYSA-N
XLogP1.08
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
2-hydrazinyl-N-pyridin-4-ylbenzenesulfonamide
CID 43383529
5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244446

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide (CID 60989473) is 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide is NNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is NQKOSVKSGXLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4S/c12-14-9-1-2-10(16(17)18)11(7-9)21(19,20)15-8-3-5-13-6-4-8/h1-7,14H,12H2,(H,13,15).
What are the key properties of 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide?
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60989473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).