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

C17H15FN2O4S — CID 1480807

IUPAC4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C17H15FN2O4S/c1-23-14-6-2-12(3-7-14)17-10-15(24-20-17)11-19-25(21,22)16-8-4-13(18)5-9-16/h2-10,19H,11H2,1H3
InChIKeyLVBNGQVAWCMHCJ-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.97
Rot. Bonds6

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

4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (PubChem CID 1480807) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
PubChem CID1480807
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C17H15FN2O4S/c1-23-14-6-2-12(3-7-14)17-10-15(24-20-17)11-19-25(21,22)16-8-4-13(18)5-9-16/h2-10,19H,11H2,1H3
InChIKeyLVBNGQVAWCMHCJ-UHFFFAOYSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (CID 1480807) is 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is LVBNGQVAWCMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-23-14-6-2-12(3-7-14)17-10-15(24-20-17)11-19-25(21,22)16-8-4-13(18)5-9-16/h2-10,19H,11H2,1H3.
What are the key properties of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1480807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).