2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C15H13ClN4O3S2 — CID 68616001

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H13ClN4O3S2/c16-12-3-4-13(24-12)25(21,22)20-9-1-2-11(20)15-19-18-14(23-15)10-5-7-17-8-6-10/h3-8,11H,1-2,9H2
InChIKeyNORBEDXTDVVWEY-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 68616001) has the molecular formula C15H13ClN4O3S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID68616001
Molecular FormulaC15H13ClN4O3S2
Molecular Weight396.88 g/mol
Exact Mass396.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H13ClN4O3S2/c16-12-3-4-13(24-12)25(21,22)20-9-1-2-11(20)15-19-18-14(23-15)10-5-7-17-8-6-10/h3-8,11H,1-2,9H2
InChIKeyNORBEDXTDVVWEY-UHFFFAOYSA-N
XLogP3.37
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
3-(1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 155954340
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 95849941
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854813

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 68616001) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCCC1c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is NORBEDXTDVVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S2/c16-12-3-4-13(24-12)25(21,22)20-9-1-2-11(20)15-19-18-14(23-15)10-5-7-17-8-6-10/h3-8,11H,1-2,9H2.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 396.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 68616001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).