3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide

C16H19N3O3S — CID 126782366

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(-c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C16H19N3O3S/c20-23(21,19-13-8-9-13)14-7-3-6-12(10-14)16-17-15(18-22-16)11-4-1-2-5-11/h3,6-7,10-11,13,19H,1-2,4-5,8-9H2
InChIKeyYQZQWLAUGJVDIC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.83
Rot. Bonds5

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 126782366) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID126782366
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(-c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C16H19N3O3S/c20-23(21,19-13-8-9-13)14-7-3-6-12(10-14)16-17-15(18-22-16)11-4-1-2-5-11/h3,6-7,10-11,13,19H,1-2,4-5,8-9H2
InChIKeyYQZQWLAUGJVDIC-UHFFFAOYSA-N
XLogP2.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide (CID 126782366) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1cccc(-c2nc(C3CCCC3)no2)c1.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is YQZQWLAUGJVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,19-13-8-9-13)14-7-3-6-12(10-14)16-17-15(18-22-16)11-4-1-2-5-11/h3,6-7,10-11,13,19H,1-2,4-5,8-9H2.
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 126782366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).