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

C18H19N3O3S — CID 110320446

IUPAC4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-14-8-10-16(11-9-14)25(22,23)19-13-12-17-20-21-18(24-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3
InChIKeyHMHDEBXBHDSRRS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.82
Rot. Bonds7

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

4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320446) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320446
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-14-8-10-16(11-9-14)25(22,23)19-13-12-17-20-21-18(24-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3
InChIKeyHMHDEBXBHDSRRS-UHFFFAOYSA-N
XLogP2.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321983
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]aniline
CID 110653733
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
4-ethoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320918
2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110320478
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320880
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320446) is 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HMHDEBXBHDSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-14-8-10-16(11-9-14)25(22,23)19-13-12-17-20-21-18(24-17)15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).