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

C13H10N4O3S — CID 132541861

IUPAC4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)
InChIKeyKGBVQLHCPRWQPY-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.45
Rot. Bonds3

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

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 132541861) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID132541861
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)
InChIKeyKGBVQLHCPRWQPY-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 132541861) is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is KGBVQLHCPRWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19).
What are the key properties of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
4-(3-pyridin-4-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 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 132541861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).