N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

C18H18N2O4S — CID 53094876

IUPACN-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1
InChIInChI=1S/C18H18N2O4S/c1-3-13-4-7-15(8-5-13)20-25(21,22)18-9-6-14(12-17(18)23-2)16-10-11-19-24-16/h4-12,20H,3H2,1-2H3
InChIKeyZHHJOBXNWSTIAV-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.71
Rot. Bonds6

About N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094876) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094876
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1
InChIInChI=1S/C18H18N2O4S/c1-3-13-4-7-15(8-5-13)20-25(21,22)18-9-6-14(12-17(18)23-2)16-10-11-19-24-16/h4-12,20H,3H2,1-2H3
InChIKeyZHHJOBXNWSTIAV-UHFFFAOYSA-N
XLogP3.71
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094934
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862
ethyl 5-[4-methoxy-3-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxylate
CID 20941103
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (CID 53094876) is N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is ZHHJOBXNWSTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-13-4-7-15(8-5-13)20-25(21,22)18-9-6-14(12-17(18)23-2)16-10-11-19-24-16/h4-12,20H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).