N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H15N3O4S — CID 28783259

IUPACN-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)c(N)c1
InChIInChI=1S/C12H15N3O4S/c1-7-12(8(2)19-14-7)20(16,17)15-11-5-4-9(18-3)6-10(11)13/h4-6,15H,13H2,1-3H3
InChIKeyYQHWKUVGSWXGTC-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.68
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 28783259) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID28783259
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)noc2C)c(N)c1
InChIInChI=1S/C12H15N3O4S/c1-7-12(8(2)19-14-7)20(16,17)15-11-5-4-9(18-3)6-10(11)13/h4-6,15H,13H2,1-3H3
InChIKeyYQHWKUVGSWXGTC-UHFFFAOYSA-N
XLogP1.68
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 63117138
N-(5-amino-2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550970
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39853829
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
CID 63688397
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 28783259) is N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)noc2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YQHWKUVGSWXGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7-12(8(2)19-14-7)20(16,17)15-11-5-4-9(18-3)6-10(11)13/h4-6,15H,13H2,1-3H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 28783259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).