2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide

C16H13FN2O3S — CID 67560551

IUPAC2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13FN2O3S/c1-10-15(13-7-2-3-8-14(13)23(18,20)21)16(19-22-10)11-5-4-6-12(17)9-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyMRAMQMFPHQXZDD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.10
Rot. Bonds3

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

2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67560551) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67560551
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H13FN2O3S/c1-10-15(13-7-2-3-8-14(13)23(18,20)21)16(19-22-10)11-5-4-6-12(17)9-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyMRAMQMFPHQXZDD-UHFFFAOYSA-N
XLogP3.10
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
CID 70207331
2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207014
2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594883
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
2-[3-(3-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 67596462
bis(carbamothioic S-acid);2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide;methane;hydrate
CID 173207013
3-(3-fluorophenyl)-5-methyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
CID 23725966
2-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594923

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 67560551) is 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is Cc1onc(-c2cccc(F)c2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is MRAMQMFPHQXZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-10-15(13-7-2-3-8-14(13)23(18,20)21)16(19-22-10)11-5-4-6-12(17)9-11/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67560551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).