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

C16H12F2N2O3S — CID 10291510

IUPAC4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1
InChIInChI=1S/C16H12F2N2O3S/c17-16(18)15-13(10-6-8-12(9-7-10)24(19,21)22)14(20-23-15)11-4-2-1-3-5-11/h1-9,16H,(H2,19,21,22)
InChIKeyDVSOGWILWKEIDD-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.59
Rot. Bonds4

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

4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 10291510) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID10291510
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1
InChIInChI=1S/C16H12F2N2O3S/c17-16(18)15-13(10-6-8-12(9-7-10)24(19,21)22)14(20-23-15)11-4-2-1-3-5-11/h1-9,16H,(H2,19,21,22)
InChIKeyDVSOGWILWKEIDD-UHFFFAOYSA-N
XLogP3.59
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 10291510) is 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1.
What is the InChIKey of 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is DVSOGWILWKEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c17-16(18)15-13(10-6-8-12(9-7-10)24(19,21)22)14(20-23-15)11-4-2-1-3-5-11/h1-9,16H,(H2,19,21,22).
What are the key properties of 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 350.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10291510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).