2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide

C10H10N4O5S — CID 62162658

IUPAC2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)on1
InChIInChI=1S/C10H10N4O5S/c1-6-4-10(19-12-6)13-20(17,18)9-3-2-7(14(15)16)5-8(9)11/h2-5,13H,11H2,1H3
InChIKeyGTJJYBXVMWCSGP-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide

2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide (PubChem CID 62162658) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
PubChem CID62162658
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)on1
InChIInChI=1S/C10H10N4O5S/c1-6-4-10(19-12-6)13-20(17,18)9-3-2-7(14(15)16)5-8(9)11/h2-5,13H,11H2,1H3
InChIKeyGTJJYBXVMWCSGP-UHFFFAOYSA-N
XLogP1.27
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.27
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-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzenesulfonamide
CID 62162311
2-amino-5-bromo-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 54888419
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
3-(methylamino)-N-(3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 115993206
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
2-amino-N-(3-ethylpentan-3-yl)-4-nitrobenzenesulfonamide
CID 65042718
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 106376760
2-[(2-amino-4-nitrophenyl)sulfonylamino]-3-methylbutanamide
CID 106347100
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide (CID 62162658) is 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)on1.
What is the InChIKey of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide?
The InChIKey is GTJJYBXVMWCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5S/c1-6-4-10(19-12-6)13-20(17,18)9-3-2-7(14(15)16)5-8(9)11/h2-5,13H,11H2,1H3.
What are the key properties of 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide?
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide has a molecular weight of 298.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62162658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).