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

C17H17N3O3S — CID 154834393

IUPACN-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCc1ccccc1Cc1noc(-c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H17N3O3S/c1-12-5-3-4-6-14(12)11-16-18-17(23-19-16)13-7-9-15(10-8-13)20-24(2,21)22/h3-10,20H,11H2,1-2H3
InChIKeyWTZDYLCMZTWZCL-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.01
Rot. Bonds5

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

N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (PubChem CID 154834393) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
PubChem CID154834393
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCc1ccccc1Cc1noc(-c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H17N3O3S/c1-12-5-3-4-6-14(12)11-16-18-17(23-19-16)13-7-9-15(10-8-13)20-24(2,21)22/h3-10,20H,11H2,1-2H3
InChIKeyWTZDYLCMZTWZCL-UHFFFAOYSA-N
XLogP3.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (CID 154834393) is N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is Cc1ccccc1Cc1noc(-c2ccc(NS(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is WTZDYLCMZTWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-5-3-4-6-14(12)11-16-18-17(23-19-16)13-7-9-15(10-8-13)20-24(2,21)22/h3-10,20H,11H2,1-2H3.
What are the key properties of N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 154834393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).