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

C17H17N3O3S — CID 110320490

IUPAC2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O3S/c1-13-7-5-6-10-15(13)24(21,22)18-12-11-16-19-20-17(23-16)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyCYULSBRYKSZSTB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.57
Rot. Bonds6

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

2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320490) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320490
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H17N3O3S/c1-13-7-5-6-10-15(13)24(21,22)18-12-11-16-19-20-17(23-16)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyCYULSBRYKSZSTB-UHFFFAOYSA-N
XLogP2.57
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 110321999
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368567
4-tert-butyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320486
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981488
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992
4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320894
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110321268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320490) is 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CYULSBRYKSZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-7-5-6-10-15(13)24(21,22)18-12-11-16-19-20-17(23-16)14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3.
What are the key properties of 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).