N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C15H14N4O3S — CID 974719

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N4O3S/c1-19(23(20,21)13-7-3-2-4-8-13)11-14-17-15(18-22-14)12-6-5-9-16-10-12/h2-10H,11H2,1H3
InChIKeyWYASFPLTUTVTQH-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 974719) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID974719
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N4O3S/c1-19(23(20,21)13-7-3-2-4-8-13)11-14-17-15(18-22-14)12-6-5-9-16-10-12/h2-10H,11H2,1H3
InChIKeyWYASFPLTUTVTQH-UHFFFAOYSA-N
XLogP1.95
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 974719) is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is WYASFPLTUTVTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-19(23(20,21)13-7-3-2-4-8-13)11-14-17-15(18-22-14)12-6-5-9-16-10-12/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 974719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).