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

C11H11N3O5S — CID 71998056

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H11N3O5S/c1-7-6-11(12-19-7)13-20(17,18)10-5-3-4-9(8(10)2)14(15)16/h3-6H,1-2H3,(H,12,13)
InChIKeyUFGSVKCUVAJDJE-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.00
Rot. Bonds4

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

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide (PubChem CID 71998056) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
PubChem CID71998056
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H11N3O5S/c1-7-6-11(12-19-7)13-20(17,18)10-5-3-4-9(8(10)2)14(15)16/h3-6H,1-2H3,(H,12,13)
InChIKeyUFGSVKCUVAJDJE-UHFFFAOYSA-N
XLogP2.00
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.00
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

N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 62150924
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912
3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzenesulfonamide
CID 79028865
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
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-3-nitrobenzenesulfonamide
CID 55896146
2-amino-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 62149534
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenoxy)benzenesulfonamide
CID 2907889
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-3-nitrobenzenesulfonamide
CID 115363056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide (CID 71998056) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide?
The InChIKey is UFGSVKCUVAJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-7-6-11(12-19-7)13-20(17,18)10-5-3-4-9(8(10)2)14(15)16/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide has a molecular weight of 297.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 71998056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).