N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C22H16F2N2O4S — CID 3819607

IUPACN-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H16F2N2O4S/c23-22(24)29-18-13-11-17(12-14-18)26-31(27,28)21-19(15-7-3-1-4-8-15)30-20(25-21)16-9-5-2-6-10-16/h1-14,22,26H
InChIKeyBFJFGTOBDDUCCZ-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.41
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 3819607) has the molecular formula C22H16F2N2O4S and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID3819607
Molecular FormulaC22H16F2N2O4S
Molecular Weight442.44 g/mol
Exact Mass442.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C22H16F2N2O4S/c23-22(24)29-18-13-11-17(12-14-18)26-31(27,28)21-19(15-7-3-1-4-8-15)30-20(25-21)16-9-5-2-6-10-16/h1-14,22,26H
InChIKeyBFJFGTOBDDUCCZ-UHFFFAOYSA-N
XLogP5.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 3819607) is N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is BFJFGTOBDDUCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O4S/c23-22(24)29-18-13-11-17(12-14-18)26-31(27,28)21-19(15-7-3-1-4-8-15)30-20(25-21)16-9-5-2-6-10-16/h1-14,22,26H.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 442.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 3819607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).