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

C16H15N3O4S — CID 3338695

IUPACN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NS(C)(=O)=O)o2)c1
InChIInChI=1S/C16H15N3O4S/c1-22-12-7-5-6-11(10-12)15-17-18-16(23-15)13-8-3-4-9-14(13)19-24(2,20)21/h3-10,19H,1-2H3
InChIKeyLIGNWFIVRWWXAS-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.78
Rot. Bonds5

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

N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (PubChem CID 3338695) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
PubChem CID3338695
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NS(C)(=O)=O)o2)c1
InChIInChI=1S/C16H15N3O4S/c1-22-12-7-5-6-11(10-12)15-17-18-16(23-15)13-8-3-4-9-14(13)19-24(2,20)21/h3-10,19H,1-2H3
InChIKeyLIGNWFIVRWWXAS-UHFFFAOYSA-N
XLogP2.78
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 58247228
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
CID 43981074

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide (CID 3338695) is N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is COc1cccc(-c2nnc(-c3ccccc3NS(C)(=O)=O)o2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is LIGNWFIVRWWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-22-12-7-5-6-11(10-12)15-17-18-16(23-15)13-8-3-4-9-14(13)19-24(2,20)21/h3-10,19H,1-2H3.
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide?
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3338695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).