5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide

C17H17N3O3S — CID 53042694

IUPAC5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)no1
InChIInChI=1S/C17H17N3O3S/c1-3-16-18-17(19-23-16)13-10-9-12(2)15(11-13)24(21,22)20-14-7-5-4-6-8-14/h4-11,20H,3H2,1-2H3
InChIKeyYMWPPPUUXURHTI-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.41
Rot. Bonds5

About 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 53042694) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
PubChem CID53042694
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)no1
InChIInChI=1S/C17H17N3O3S/c1-3-16-18-17(19-23-16)13-10-9-12(2)15(11-13)24(21,22)20-14-7-5-4-6-8-14/h4-11,20H,3H2,1-2H3
InChIKeyYMWPPPUUXURHTI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46365804
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-(3-ethylphenyl)-2-methylbenzenesulfonamide
CID 53205174
N-benzyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366042
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide (CID 53042694) is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide is CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)no1.
What is the InChIKey of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is YMWPPPUUXURHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-16-18-17(19-23-16)13-10-9-12(2)15(11-13)24(21,22)20-14-7-5-4-6-8-14/h4-11,20H,3H2,1-2H3.
What are the key properties of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide?
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 53042694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).