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

C22H24F2N2O6S — CID 18778773

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H24F2N2O6S/c1-15-16(2)25-32-21(15)26(14-30-13-12-29-3)33(27,28)20-7-5-4-6-19(20)17-8-10-18(11-9-17)31-22(23)24/h4-11,22H,12-14H2,1-3H3
InChIKeyDIOFCKIMTRVJPT-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.38
Rot. Bonds11

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

2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide (PubChem CID 18778773) has the molecular formula C22H24F2N2O6S and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
PubChem CID18778773
Molecular FormulaC22H24F2N2O6S
Molecular Weight482.51 g/mol
Exact Mass482.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H24F2N2O6S/c1-15-16(2)25-32-21(15)26(14-30-13-12-29-3)33(27,28)20-7-5-4-6-19(20)17-8-10-18(11-9-17)31-22(23)24/h4-11,22H,12-14H2,1-3H3
InChIKeyDIOFCKIMTRVJPT-UHFFFAOYSA-N
XLogP4.38
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide (CID 18778773) is 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide?
The InChIKey is DIOFCKIMTRVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O6S/c1-15-16(2)25-32-21(15)26(14-30-13-12-29-3)33(27,28)20-7-5-4-6-19(20)17-8-10-18(11-9-17)31-22(23)24/h4-11,22H,12-14H2,1-3H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide?
2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide has a molecular weight of 482.51 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)benzenesulfonamide is sourced from PubChem (CID 18778773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).