4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide

C19H20FN3O3S — CID 2236117

IUPAC4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H20FN3O3S/c1-13(2)23(27(24,25)17-9-7-16(20)8-10-17)12-18-21-19(22-26-18)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3
InChIKeySVZOQHBODANSRT-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.78
Rot. Bonds6

About 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide

4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 2236117) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID2236117
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H20FN3O3S/c1-13(2)23(27(24,25)17-9-7-16(20)8-10-17)12-18-21-19(22-26-18)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3
InChIKeySVZOQHBODANSRT-UHFFFAOYSA-N
XLogP3.78
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide (CID 2236117) is 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide is Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1.
What is the InChIKey of 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SVZOQHBODANSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13(2)23(27(24,25)17-9-7-16(20)8-10-17)12-18-21-19(22-26-18)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).