4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide

C22H17FN2O4S — CID 18701723

IUPAC4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(COc3ccc(F)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O4S/c23-17-8-10-18(11-9-17)28-14-20-25-21(15-4-2-1-3-5-15)22(29-20)16-6-12-19(13-7-16)30(24,26)27/h1-13H,14H2,(H2,24,26,27)
InChIKeyKGVPOEGXFLRJTR-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.37
Rot. Bonds6

About 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide

4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701723) has the molecular formula C22H17FN2O4S and a molecular weight of 424.45 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701723
Molecular FormulaC22H17FN2O4S
Molecular Weight424.45 g/mol
Exact Mass424.09
IUPAC Name4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(COc3ccc(F)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O4S/c23-17-8-10-18(11-9-17)28-14-20-25-21(15-4-2-1-3-5-15)22(29-20)16-6-12-19(13-7-16)30(24,26)27/h1-13H,14H2,(H2,24,26,27)
InChIKeyKGVPOEGXFLRJTR-UHFFFAOYSA-N
XLogP4.37
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701723) is 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(COc3ccc(F)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is KGVPOEGXFLRJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4S/c23-17-8-10-18(11-9-17)28-14-20-25-21(15-4-2-1-3-5-15)22(29-20)16-6-12-19(13-7-16)30(24,26)27/h1-13H,14H2,(H2,24,26,27).
What are the key properties of 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).