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

C17H15FN2O3S — CID 71853591

IUPAC2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ncoc2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O3S/c1-12-7-8-16(14(18)9-12)24(21,22)20-10-15-17(23-11-19-15)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3
InChIKeyQISHWVIQUJYGDB-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.27
Rot. Bonds5

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

2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 71853591) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID71853591
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ncoc2-c2ccccc2)c(F)c1
InChIInChI=1S/C17H15FN2O3S/c1-12-7-8-16(14(18)9-12)24(21,22)20-10-15-17(23-11-19-15)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3
InChIKeyQISHWVIQUJYGDB-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 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 71853591) is 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ncoc2-c2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is QISHWVIQUJYGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-12-7-8-16(14(18)9-12)24(21,22)20-10-15-17(23-11-19-15)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
2-fluoro-4-methyl-N-[(5-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 2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71853591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).