3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide

C8H12ClN3O3S — CID 60958496

IUPAC3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H12ClN3O3S/c9-4-1-5-16(13,14)12-8-11-10-7(15-8)6-2-3-6/h6H,1-5H2,(H,11,12)
InChIKeyAOBUKIFEMLQEOQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.32
Rot. Bonds6

About 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide

3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide (PubChem CID 60958496) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide
PubChem CID60958496
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1nnc(C2CC2)o1
InChIInChI=1S/C8H12ClN3O3S/c9-4-1-5-16(13,14)12-8-11-10-7(15-8)6-2-3-6/h6H,1-5H2,(H,11,12)
InChIKeyAOBUKIFEMLQEOQ-UHFFFAOYSA-N
XLogP1.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide (CID 60958496) is 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1nnc(C2CC2)o1.
What is the InChIKey of 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide?
The InChIKey is AOBUKIFEMLQEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c9-4-1-5-16(13,14)12-8-11-10-7(15-8)6-2-3-6/h6H,1-5H2,(H,11,12).
What are the key properties of 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide?
3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide has a molecular weight of 265.72 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 60958496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).