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

C17H15FN2O3S — CID 53051000

IUPAC4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-19-24(21,22)15-9-7-14(18)8-10-15/h2-10,19H,11H2,1H3
InChIKeyNDVXJUCPJSELRW-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.27
Rot. Bonds5

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

4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 53051000) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID53051000
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3S/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-19-24(21,22)15-9-7-14(18)8-10-15/h2-10,19H,11H2,1H3
InChIKeyNDVXJUCPJSELRW-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 53051000) is 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1oc(-c2ccccc2)nc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is NDVXJUCPJSELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-19-24(21,22)15-9-7-14(18)8-10-15/h2-10,19H,11H2,1H3.
What are the key properties of 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53051000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).