4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide

C17H15FN2O4S — CID 110402451

IUPAC4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C17H15FN2O4S/c1-11-9-13(18)5-8-16(11)25(21,22)20-17-15(10-19-24-17)12-3-6-14(23-2)7-4-12/h3-10,20H,1-2H3
InChIKeyXASXMABZMYBBNZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.60
Rot. Bonds5

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

4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 110402451) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
PubChem CID110402451
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C17H15FN2O4S/c1-11-9-13(18)5-8-16(11)25(21,22)20-17-15(10-19-24-17)12-3-6-14(23-2)7-4-12/h3-10,20H,1-2H3
InChIKeyXASXMABZMYBBNZ-UHFFFAOYSA-N
XLogP3.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
CID 110715545
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
CID 110402595

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide (CID 110402451) is 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2C)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is XASXMABZMYBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-11-9-13(18)5-8-16(11)25(21,22)20-17-15(10-19-24-17)12-3-6-14(23-2)7-4-12/h3-10,20H,1-2H3.
What are the key properties of 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide?
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110402451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).