4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H8N4O5S — CID 62913798

IUPAC4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnoc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8N4O5S/c10-6-1-2-9(8(3-6)13(14)15)19(16,17)12-7-4-11-18-5-7/h1-5,12H,10H2
InChIKeyAHKFWJDMXIQXHA-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide

4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62913798) has the molecular formula C9H8N4O5S and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62913798
Molecular FormulaC9H8N4O5S
Molecular Weight284.25 g/mol
Exact Mass284.02
IUPAC Name4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnoc2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8N4O5S/c10-6-1-2-9(8(3-6)13(14)15)19(16,17)12-7-4-11-18-5-7/h1-5,12H,10H2
InChIKeyAHKFWJDMXIQXHA-UHFFFAOYSA-N
XLogP0.97
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.97
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

4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
4-(methylamino)-3-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62914714
3-(ethylamino)-4-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 82846900
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
4-amino-N-(3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 62145119
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903482

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62913798) is 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cnoc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is AHKFWJDMXIQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O5S/c10-6-1-2-9(8(3-6)13(14)15)19(16,17)12-7-4-11-18-5-7/h1-5,12H,10H2.
What are the key properties of 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide?
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 284.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62913798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).