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

C17H17N3O3S — CID 110322590

IUPAC2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3S/c21-24(22,12-11-14-7-3-1-4-8-14)18-13-16-19-17(20-23-16)15-9-5-2-6-10-15/h1-10,18H,11-13H2
InChIKeySAEQKVBSOOVRBP-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.40
Rot. Bonds7

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

2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide (PubChem CID 110322590) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
PubChem CID110322590
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3S/c21-24(22,12-11-14-7-3-1-4-8-14)18-13-16-19-17(20-23-16)15-9-5-2-6-10-15/h1-10,18H,11-13H2
InChIKeySAEQKVBSOOVRBP-UHFFFAOYSA-N
XLogP2.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110322979
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
CID 110310723
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
CID 110322872
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide (CID 110322590) is 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide?
The InChIKey is SAEQKVBSOOVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-24(22,12-11-14-7-3-1-4-8-14)18-13-16-19-17(20-23-16)15-9-5-2-6-10-15/h1-10,18H,11-13H2.
What are the key properties of 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide?
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110322590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).