[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide

C14H12N4O3S — CID 99839573

IUPAC[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O3S/c15-22(19,20)9-10-4-6-11(7-5-10)14-17-13(18-21-14)12-3-1-2-8-16-12/h1-8H,9H2,(H2,15,19,20)
InChIKeyURXBYQQZYFMEDU-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.59
Rot. Bonds4

About [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide

[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide (PubChem CID 99839573) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
PubChem CID99839573
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O3S/c15-22(19,20)9-10-4-6-11(7-5-10)14-17-13(18-21-14)12-3-1-2-8-16-12/h1-8H,9H2,(H2,15,19,20)
InChIKeyURXBYQQZYFMEDU-UHFFFAOYSA-N
XLogP1.59
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide (CID 99839573) is [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(-c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is URXBYQQZYFMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c15-22(19,20)9-10-4-6-11(7-5-10)14-17-13(18-21-14)12-3-1-2-8-16-12/h1-8H,9H2,(H2,15,19,20).
What are the key properties of [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide?
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 99839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).