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

C10H9N3O5S — CID 694816

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C10H9N3O5S/c1-7-6-10(11-18-7)12-19(16,17)9-5-3-2-4-8(9)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyQFEDDNGWUIKTEP-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.69
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide (PubChem CID 694816) has the molecular formula C10H9N3O5S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
PubChem CID694816
Molecular FormulaC10H9N3O5S
Molecular Weight283.27 g/mol
Exact Mass283.03
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C10H9N3O5S/c1-7-6-10(11-18-7)12-19(16,17)9-5-3-2-4-8(9)13(14)15/h2-6H,1H3,(H,11,12)
InChIKeyQFEDDNGWUIKTEP-UHFFFAOYSA-N
XLogP1.69
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 71998056
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 62150924
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 91652653
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115750876
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-amino-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 62149534

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide (CID 694816) is N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide?
The InChIKey is QFEDDNGWUIKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S/c1-7-6-10(11-18-7)12-19(16,17)9-5-3-2-4-8(9)13(14)15/h2-6H,1H3,(H,11,12).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 694816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).