N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C22H23F3N2O5S — CID 15462876

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O5S/c1-15-16(2)26-32-21(15)27(14-31-13-12-30-3)33(28,29)20-7-5-4-6-19(20)17-8-10-18(11-9-17)22(23,24)25/h4-11H,12-14H2,1-3H3
InChIKeyWIIRGBNCZCGNAF-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.79
Rot. Bonds9

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 15462876) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID15462876
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O5S/c1-15-16(2)26-32-21(15)27(14-31-13-12-30-3)33(28,29)20-7-5-4-6-19(20)17-8-10-18(11-9-17)22(23,24)25/h4-11H,12-14H2,1-3H3
InChIKeyWIIRGBNCZCGNAF-UHFFFAOYSA-N
XLogP4.79
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 15462876) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is WIIRGBNCZCGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c1-15-16(2)26-32-21(15)27(14-31-13-12-30-3)33(28,29)20-7-5-4-6-19(20)17-8-10-18(11-9-17)22(23,24)25/h4-11H,12-14H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 484.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 15462876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).