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

C15H14N4O3S — CID 2219907

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N4O3S/c1-19(23(20,21)13-5-3-2-4-6-13)11-14-17-15(18-22-14)12-7-9-16-10-8-12/h2-10H,11H2,1H3
InChIKeyODPACIQKGUJJBG-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.95
Rot. Bonds5

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

N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 2219907) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID2219907
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N4O3S/c1-19(23(20,21)13-5-3-2-4-6-13)11-14-17-15(18-22-14)12-7-9-16-10-8-12/h2-10H,11H2,1H3
InChIKeyODPACIQKGUJJBG-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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Related Compounds

4-{5-[(Phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 894766
N-methyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 974719
4-bromo-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1253803
4-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1300325
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide
CID 1300548
4-chloro-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1301101
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1861514
N,4-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2202424
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230839
N,4-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 848419
4-bromo-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1253850

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 2219907) is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ODPACIQKGUJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-19(23(20,21)13-5-3-2-4-6-13)11-14-17-15(18-22-14)12-7-9-16-10-8-12/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-methyl-N-[(3-pyridin-4-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-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2219907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).