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

C10H9ClN4O3S — CID 61051190

IUPAC6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O3S/c11-8-4-3-7(5-12-8)19(16,17)15-10-14-13-9(18-10)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyYMZWDVINQVDAAD-UHFFFAOYSA-N
MW300.73 g/mol
LogP1.80
Rot. Bonds4

About 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide

6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 61051190) has the molecular formula C10H9ClN4O3S and a molecular weight of 300.73 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID61051190
Molecular FormulaC10H9ClN4O3S
Molecular Weight300.73 g/mol
Exact Mass300.01
IUPAC Name6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN4O3S/c11-8-4-3-7(5-12-8)19(16,17)15-10-14-13-9(18-10)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyYMZWDVINQVDAAD-UHFFFAOYSA-N
XLogP1.80
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide (CID 61051190) is 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nnc(C2CC2)o1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is YMZWDVINQVDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3S/c11-8-4-3-7(5-12-8)19(16,17)15-10-14-13-9(18-10)6-1-2-6/h3-6H,1-2H2,(H,14,15).
What are the key properties of 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 300.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61051190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).