3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C13H10N4O3S — CID 59758743

IUPAC3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C13H10N4O3S/c14-21(18,19)11-5-1-3-9(7-11)13-16-12(17-20-13)10-4-2-6-15-8-10/h1-8H,(H2,14,18,19)
InChIKeyHAGBTMZRQXMQCH-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.45
Rot. Bonds3

About 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 59758743) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID59758743
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C13H10N4O3S/c14-21(18,19)11-5-1-3-9(7-11)13-16-12(17-20-13)10-4-2-6-15-8-10/h1-8H,(H2,14,18,19)
InChIKeyHAGBTMZRQXMQCH-UHFFFAOYSA-N
XLogP1.45
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

NS9283
CID 11998180
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
4-(3-Pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 132541861
4-(5-Pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155530687
4-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 155549090
4-(5-Pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155558119
4-{5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1486742
5-(2-Chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819291
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
Bas 07396695
CID 3156021
4-[5-(2-Ethylsulfanyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 6462894

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 59758743) is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is HAGBTMZRQXMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c14-21(18,19)11-5-1-3-9(7-11)13-16-12(17-20-13)10-4-2-6-15-8-10/h1-8H,(H2,14,18,19).
What are the key properties of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 59758743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).