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

C23H19FN2O4S — CID 36546560

IUPAC4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-20-11-7-17(8-12-20)23-15-21(30-25-23)16-26(19-5-3-2-4-6-19)31(27,28)22-13-9-18(24)10-14-22/h2-15H,16H2,1H3
InChIKeyLXXYTYZWAJWPMA-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.88
Rot. Bonds7

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

4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide (PubChem CID 36546560) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide
PubChem CID36546560
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)on2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-29-20-11-7-17(8-12-20)23-15-21(30-25-23)16-26(19-5-3-2-4-6-19)31(27,28)22-13-9-18(24)10-14-22/h2-15H,16H2,1H3
InChIKeyLXXYTYZWAJWPMA-UHFFFAOYSA-N
XLogP4.88
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605
4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 55680699
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide
CID 75415023
N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide
CID 44513710
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022176
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16580286
N-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 38828810

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide (CID 36546560) is 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide is COc1ccc(-c2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)on2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide?
The InChIKey is LXXYTYZWAJWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-29-20-11-7-17(8-12-20)23-15-21(30-25-23)16-26(19-5-3-2-4-6-19)31(27,28)22-13-9-18(24)10-14-22/h2-15H,16H2,1H3.
What are the key properties of 4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide?
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide has a molecular weight of 438.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 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]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 36546560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).