5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

C13H14N2O3S — CID 122187167

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O3S/c1-8-2-3-10(6-12(8)19(14,16)17)11-7-15-13(18-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H2,14,16,17)
InChIKeyZOGPNHMBZBNCEJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.17
Rot. Bonds3

About 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 122187167) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID122187167
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H14N2O3S/c1-8-2-3-10(6-12(8)19(14,16)17)11-7-15-13(18-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H2,14,16,17)
InChIKeyZOGPNHMBZBNCEJ-UHFFFAOYSA-N
XLogP2.17
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 122187167) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2cnc(C3CC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is ZOGPNHMBZBNCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-2-3-10(6-12(8)19(14,16)17)11-7-15-13(18-11)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H2,14,16,17).
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 122187167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).