phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone

C18H11N3O4S — CID 58302553

IUPACphenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nnc(S(=O)(=O)c2cccc3cccnc23)o1
InChIInChI=1S/C18H11N3O4S/c22-16(13-6-2-1-3-7-13)17-20-21-18(25-17)26(23,24)14-10-4-8-12-9-5-11-19-15(12)14/h1-11H
InChIKeySHRWGCAXYNOZHM-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.68
Rot. Bonds4

About phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone

phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 58302553) has the molecular formula C18H11N3O4S and a molecular weight of 365.37 g/mol. Its IUPAC name is phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID58302553
Molecular FormulaC18H11N3O4S
Molecular Weight365.37 g/mol
Exact Mass365.05
IUPAC Namephenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nnc(S(=O)(=O)c2cccc3cccnc23)o1
InChIInChI=1S/C18H11N3O4S/c22-16(13-6-2-1-3-7-13)17-20-21-18(25-17)26(23,24)14-10-4-8-12-9-5-11-19-15(12)14/h1-11H
InChIKeySHRWGCAXYNOZHM-UHFFFAOYSA-N
XLogP2.68
TPSA103.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-quinolin-8-ylsulfonylbenzenecarboximidamide
CID 57159416
methyl N'-quinolin-8-ylsulfonylcarbamimidate
CID 4663041
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
palladium;quinoline-8-carboxylic acid
CID 174945118
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
8-methylsulfanylsulfonylquinoline
CID 913226
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
2-[[4-[carboxymethyl(quinolin-8-ylsulfonyl)amino]naphthalen-1-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 154997964
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone (CID 58302553) is phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1ccccc1)c1nnc(S(=O)(=O)c2cccc3cccnc23)o1.
What is the InChIKey of phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is SHRWGCAXYNOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S/c22-16(13-6-2-1-3-7-13)17-20-21-18(25-17)26(23,24)14-10-4-8-12-9-5-11-19-15(12)14/h1-11H.
What are the key properties of phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone?
phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 365.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 58302553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).