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

C19H18N2O3S — CID 20959106

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-2-8-16(9-3-13)21-25(22,23)17-10-6-14(7-11-17)18-12-20-19(24-18)15-4-5-15/h2-3,6-12,15,21H,4-5H2,1H3
InChIKeyJBFPESZNTFXRNR-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.33
Rot. Bonds5

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

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 20959106) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID20959106
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-2-8-16(9-3-13)21-25(22,23)17-10-6-14(7-11-17)18-12-20-19(24-18)15-4-5-15/h2-3,6-12,15,21H,4-5H2,1H3
InChIKeyJBFPESZNTFXRNR-UHFFFAOYSA-N
XLogP4.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.33
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-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide (CID 20959106) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is JBFPESZNTFXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-2-8-16(9-3-13)21-25(22,23)17-10-6-14(7-11-17)18-12-20-19(24-18)15-4-5-15/h2-3,6-12,15,21H,4-5H2,1H3.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 4.33, 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-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 20959106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).