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

C24H21FN2O4S — CID 24623442

IUPAC4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O4S/c1-17-21(26-24(31-17)18-8-4-3-5-9-18)16-27(22-10-6-7-11-23(22)30-2)32(28,29)20-14-12-19(25)13-15-20/h3-15H,16H2,1-2H3
InChIKeyIQXKLDJSQQPAAF-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.19
Rot. Bonds7

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

4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 24623442) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID24623442
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC Name4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O4S/c1-17-21(26-24(31-17)18-8-4-3-5-9-18)16-27(22-10-6-7-11-23(22)30-2)32(28,29)20-14-12-19(25)13-15-20/h3-15H,16H2,1-2H3
InChIKeyIQXKLDJSQQPAAF-UHFFFAOYSA-N
XLogP5.19
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
CID 38829000
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 24623442) is 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is IQXKLDJSQQPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-17-21(26-24(31-17)18-8-4-3-5-9-18)16-27(22-10-6-7-11-23(22)30-2)32(28,29)20-14-12-19(25)13-15-20/h3-15H,16H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 452.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24623442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).