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

C16H13FN2O4S — CID 10831559

IUPAC4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13FN2O4S/c1-10-15(11-2-8-14(9-3-11)24(18,21)22)19(16(20)23-10)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,18,21,22)
InChIKeyXPBQEWXBKRTDQB-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.19
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10831559) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10831559
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13FN2O4S/c1-10-15(11-2-8-14(9-3-11)24(18,21)22)19(16(20)23-10)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,18,21,22)
InChIKeyXPBQEWXBKRTDQB-UHFFFAOYSA-N
XLogP2.19
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-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

3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9905676
4-(2-Oxo-3-p-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10544389
4-(2-Oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10711484
4-(4-Methanesulfonyl-phenyl)-3-p-tolyl-3H-oxazol-2-one
CID 10758721
4-(5-Methyl-2-oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10831290
Ethyl (4-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbamate
CID 896649
3-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 10688075
4-[3-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9797752
4-(2-Oxo-3-phenyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 9818359
4-[3-(4-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9884096
4-(2-Oxo-3-o-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10336743
4-[3-(4-Ethyl-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10545379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10831559) is 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1oc(=O)n(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is XPBQEWXBKRTDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c1-10-15(11-2-8-14(9-3-11)24(18,21)22)19(16(20)23-10)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 348.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10831559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).