5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide

C10H10N6O4S — CID 60989700

IUPAC5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C10H10N6O4S/c11-14-7-2-3-8(16(17)18)9(6-7)21(19,20)15-10-12-4-1-5-13-10/h1-6,14H,11H2,(H,12,13,15)
InChIKeyKOQOKOYNKHCUAS-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.47
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide

5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 60989700) has the molecular formula C10H10N6O4S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID60989700
Molecular FormulaC10H10N6O4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC Name5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C10H10N6O4S/c11-14-7-2-3-8(16(17)18)9(6-7)21(19,20)15-10-12-4-1-5-13-10/h1-6,14H,11H2,(H,12,13,15)
InChIKeyKOQOKOYNKHCUAS-UHFFFAOYSA-N
XLogP0.47
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-pyridin-4-ylbenzenesulfonamide
CID 60989473
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244446
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 43325334
5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 79379501

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide (CID 60989700) is 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide is NNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncccn2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is KOQOKOYNKHCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4S/c11-14-7-2-3-8(16(17)18)9(6-7)21(19,20)15-10-12-4-1-5-13-10/h1-6,14H,11H2,(H,12,13,15).
What are the key properties of 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 310.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 60989700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).