4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C19H17FN2O3S — CID 20959098

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F
InChIInChI=1S/C19H17FN2O3S/c1-12-2-7-15(10-17(12)20)22-26(23,24)16-8-5-13(6-9-16)18-11-21-19(25-18)14-3-4-14/h2,5-11,14,22H,3-4H2,1H3
InChIKeyCXZREUPYEXBBOV-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.47
Rot. Bonds5

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 20959098) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID20959098
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F
InChIInChI=1S/C19H17FN2O3S/c1-12-2-7-15(10-17(12)20)22-26(23,24)16-8-5-13(6-9-16)18-11-21-19(25-18)14-3-4-14/h2,5-11,14,22H,3-4H2,1H3
InChIKeyCXZREUPYEXBBOV-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 20959098) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1F.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is CXZREUPYEXBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-12-2-7-15(10-17(12)20)22-26(23,24)16-8-5-13(6-9-16)18-11-21-19(25-18)14-3-4-14/h2,5-11,14,22H,3-4H2,1H3.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 372.42 g/mol, XLogP of 4.47, 5 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-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 20959098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).