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

C7H10ClN3O3S — CID 107651221

IUPAC2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1nnc(C2CC2)o1
InChIInChI=1S/C7H10ClN3O3S/c8-3-4-15(12,13)11-7-10-9-6(14-7)5-1-2-5/h5H,1-4H2,(H,10,11)
InChIKeyCCFHYVNIGUFFSN-UHFFFAOYSA-N
MW251.69 g/mol
LogP0.93
Rot. Bonds5

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

2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide (PubChem CID 107651221) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide
PubChem CID107651221
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1nnc(C2CC2)o1
InChIInChI=1S/C7H10ClN3O3S/c8-3-4-15(12,13)11-7-10-9-6(14-7)5-1-2-5/h5H,1-4H2,(H,10,11)
InChIKeyCCFHYVNIGUFFSN-UHFFFAOYSA-N
XLogP0.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 50.93
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 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide (CID 107651221) is 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide is O=S(=O)(CCCl)Nc1nnc(C2CC2)o1.
What is the InChIKey of 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide?
The InChIKey is CCFHYVNIGUFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c8-3-4-15(12,13)11-7-10-9-6(14-7)5-1-2-5/h5H,1-4H2,(H,10,11).
What are the key properties of 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide?
2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide has a molecular weight of 251.69 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 107651221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).