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

C17H14F2N2O3S — CID 2738172

IUPAC2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O3S/c1-11-14(17(21-24-11)12-5-3-2-4-6-12)10-20-25(22,23)16-8-7-13(18)9-15(16)19/h2-9,20H,10H2,1H3
InChIKeyRVEPMGISOPQPRU-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.41
Rot. Bonds5

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

2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738172) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738172
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O3S/c1-11-14(17(21-24-11)12-5-3-2-4-6-12)10-20-25(22,23)16-8-7-13(18)9-15(16)19/h2-9,20H,10H2,1H3
InChIKeyRVEPMGISOPQPRU-UHFFFAOYSA-N
XLogP3.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (CID 2738172) is 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is RVEPMGISOPQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-11-14(17(21-24-11)12-5-3-2-4-6-12)10-20-25(22,23)16-8-7-13(18)9-15(16)19/h2-9,20H,10H2,1H3.
What are the key properties of 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 364.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).