4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide

C21H22N2O3S — CID 20959093

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-14(2)15-5-9-18(10-6-15)23-27(24,25)19-11-7-16(8-12-19)20-13-22-21(26-20)17-3-4-17/h5-14,17,23H,3-4H2,1-2H3
InChIKeyNQVFFOHAGVLTKQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.14
Rot. Bonds6

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 20959093) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID20959093
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-14(2)15-5-9-18(10-6-15)23-27(24,25)19-11-7-16(8-12-19)20-13-22-21(26-20)17-3-4-17/h5-14,17,23H,3-4H2,1-2H3
InChIKeyNQVFFOHAGVLTKQ-UHFFFAOYSA-N
XLogP5.14
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide 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-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 20959093) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is NQVFFOHAGVLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(2)15-5-9-18(10-6-15)23-27(24,25)19-11-7-16(8-12-19)20-13-22-21(26-20)17-3-4-17/h5-14,17,23H,3-4H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 20959093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).