5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

C21H18N4O4S — CID 50808327

IUPAC5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C21H18N4O4S/c1-13-2-3-16(20-23-21(29-24-20)15-4-5-15)12-19(13)30(26,27)25-17-8-6-14(7-9-17)18-10-11-22-28-18/h2-3,6-12,15,25H,4-5H2,1H3
InChIKeyIIHLCNJGCZFXED-UHFFFAOYSA-N
MW422.47 g/mol
LogP4.38
Rot. Bonds6

About 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 50808327) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID50808327
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C21H18N4O4S/c1-13-2-3-16(20-23-21(29-24-20)15-4-5-15)12-19(13)30(26,27)25-17-8-6-14(7-9-17)18-10-11-22-28-18/h2-3,6-12,15,25H,4-5H2,1H3
InChIKeyIIHLCNJGCZFXED-UHFFFAOYSA-N
XLogP4.38
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (CID 50808327) is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1.
What is the InChIKey of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is IIHLCNJGCZFXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-13-2-3-16(20-23-21(29-24-20)15-4-5-15)12-19(13)30(26,27)25-17-8-6-14(7-9-17)18-10-11-22-28-18/h2-3,6-12,15,25H,4-5H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 50808327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).