5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

C9H8N4O5S — CID 62902722

IUPAC5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C9H8N4O5S/c10-6-1-2-7(13(14)15)8(5-6)19(16,17)12-9-3-4-18-11-9/h1-5H,10H2,(H,11,12)
InChIKeyMNPLWSXPCGMAMY-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.97
Rot. Bonds4

About 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide

5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 62902722) has the molecular formula C9H8N4O5S and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID62902722
Molecular FormulaC9H8N4O5S
Molecular Weight284.25 g/mol
Exact Mass284.02
IUPAC Name5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C9H8N4O5S/c10-6-1-2-7(13(14)15)8(5-6)19(16,17)12-9-3-4-18-11-9/h1-5H,10H2,(H,11,12)
InChIKeyMNPLWSXPCGMAMY-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

5-(methylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902360
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 80746819
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
CID 107595401
4-(ethylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904139
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
5-amino-2-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80721138

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 62902722) is 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccon2)c1.
What is the InChIKey of 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is MNPLWSXPCGMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O5S/c10-6-1-2-7(13(14)15)8(5-6)19(16,17)12-9-3-4-18-11-9/h1-5H,10H2,(H,11,12).
What are the key properties of 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
5-amino-2-nitro-N-(1,2-oxazol-3-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 5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 62902722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).