4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

C15H11FN2O3S — CID 10171927

IUPAC4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2[18F])cc1
InChIInChI=1S/C15H11FN2O3S/c16-15-13(10-6-8-12(9-7-10)22(17,19)20)14(18-21-15)11-4-2-1-3-5-11/h1-9H,(H2,17,19,20)/i16-1
InChIKeyRXNDRRNFYPOMKF-GKTGUEEDSA-N
MW317.33 g/mol
LogP2.80
Rot. Bonds3

About 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 10171927) has the molecular formula C15H11FN2O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID10171927
Molecular FormulaC15H11FN2O3S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2[18F])cc1
InChIInChI=1S/C15H11FN2O3S/c16-15-13(10-6-8-12(9-7-10)22(17,19)20)14(18-21-15)11-4-2-1-3-5-11/h1-9H,(H2,17,19,20)/i16-1
InChIKeyRXNDRRNFYPOMKF-GKTGUEEDSA-N
XLogP2.80
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide 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-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
CID 67695410
2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 67596462
2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
CID 152771184
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
methyl 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetate
CID 67594618
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
methyl 8-[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]octanoate
CID 163249478
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
4-[6-chloro-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 87332875
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729

Frequently Asked Questions

What is the IUPAC name of 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 10171927) is 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2[18F])cc1.
What is the InChIKey of 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is RXNDRRNFYPOMKF-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c16-15-13(10-6-8-12(9-7-10)22(17,19)20)14(18-21-15)11-4-2-1-3-5-11/h1-9H,(H2,17,19,20)/i16-1.
What are the key properties of 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 317.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 10171927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).