N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C13H16N2O4S — CID 20958826

IUPACN-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C13H16N2O4S/c1-10-14-9-13(19-10)11-3-5-12(6-4-11)20(16,17)15-7-8-18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyKZTWVTZSWQBLFZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.57
Rot. Bonds6

About N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958826) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958826
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C13H16N2O4S/c1-10-14-9-13(19-10)11-3-5-12(6-4-11)20(16,17)15-7-8-18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyKZTWVTZSWQBLFZ-UHFFFAOYSA-N
XLogP1.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958850
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814
N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
CID 10194069
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
5-(4-ethoxyphenyl)-2-methyl-1,3-oxazole
CID 166610196
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 142884261

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958826) is N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(-c2cnc(C)o2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is KZTWVTZSWQBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-10-14-9-13(19-10)11-3-5-12(6-4-11)20(16,17)15-7-8-18-2/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).