2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H13F2N3O3S2 — CID 92571600

IUPAC2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13F2N3O3S2/c17-11-6-5-10(9-12(11)18)26(22,23)21-7-1-3-13(21)15-19-20-16(24-15)14-4-2-8-25-14/h2,4-6,8-9,13H,1,3,7H2/t13-/m0/s1
InChIKeyWUGJUHHRIIKOPE-ZDUSSCGKSA-N
MW397.43 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 92571600) has the molecular formula C16H13F2N3O3S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID92571600
Molecular FormulaC16H13F2N3O3S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC Name2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13F2N3O3S2/c17-11-6-5-10(9-12(11)18)26(22,23)21-7-1-3-13(21)15-19-20-16(24-15)14-4-2-8-25-14/h2,4-6,8-9,13H,1,3,7H2/t13-/m0/s1
InChIKeyWUGJUHHRIIKOPE-ZDUSSCGKSA-N
XLogP3.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-thiophen-2-yl-5-[(2R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92569579
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 110217580
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559559
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110217531
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598859

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 92571600) is 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is WUGJUHHRIIKOPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13F2N3O3S2/c17-11-6-5-10(9-12(11)18)26(22,23)21-7-1-3-13(21)15-19-20-16(24-15)14-4-2-8-25-14/h2,4-6,8-9,13H,1,3,7H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 397.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92571600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).