2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide

C10H9N5O4S — CID 62146847

IUPAC2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C10H9N5O4S/c11-8-5-7(15(16)17)1-2-9(8)20(18,19)14-10-6-12-3-4-13-10/h1-6H,11H2,(H,13,14)
InChIKeyXOIGNEDHYZKWDT-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide

2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 62146847) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID62146847
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccn1
InChIInChI=1S/C10H9N5O4S/c11-8-5-7(15(16)17)1-2-9(8)20(18,19)14-10-6-12-3-4-13-10/h1-6H,11H2,(H,13,14)
InChIKeyXOIGNEDHYZKWDT-UHFFFAOYSA-N
XLogP0.77
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
CID 131880907
CID 131880907
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide (CID 62146847) is 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide is Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccn1.
What is the InChIKey of 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is XOIGNEDHYZKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c11-8-5-7(15(16)17)1-2-9(8)20(18,19)14-10-6-12-3-4-13-10/h1-6H,11H2,(H,13,14).
What are the key properties of 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide?
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 62146847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).