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

C10H9ClN4O4S — CID 64608472

IUPAC5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2nnc(C3CC3)o2)cc1Cl
InChIInChI=1S/C10H9ClN4O4S/c11-7-3-6(4-12-8(7)16)20(17,18)15-10-14-13-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,12,16)(H,14,15)
InChIKeyRLIZYWBEENHYSE-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.09
Rot. Bonds4

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

5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64608472) has the molecular formula C10H9ClN4O4S and a molecular weight of 316.73 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64608472
Molecular FormulaC10H9ClN4O4S
Molecular Weight316.73 g/mol
Exact Mass316.00
IUPAC Name5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2nnc(C3CC3)o2)cc1Cl
InChIInChI=1S/C10H9ClN4O4S/c11-7-3-6(4-12-8(7)16)20(17,18)15-10-14-13-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,12,16)(H,14,15)
InChIKeyRLIZYWBEENHYSE-UHFFFAOYSA-N
XLogP1.09
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64608472) is 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2nnc(C3CC3)o2)cc1Cl.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is RLIZYWBEENHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O4S/c11-7-3-6(4-12-8(7)16)20(17,18)15-10-14-13-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,12,16)(H,14,15).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 316.73 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).