5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C13H13ClN4O4S — CID 99799674

IUPAC5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O4S/c14-8-3-1-4-9(7-8)23(20,21)18-6-2-5-10(18)13-16-12(11(15)19)17-22-13/h1,3-4,7,10H,2,5-6H2,(H2,15,19)/t10-/m0/s1
InChIKeyXBWDDTBGSAHOCC-JTQLQIEISA-N
MW356.79 g/mol
LogP1.35
Rot. Bonds4

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

5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 99799674) has the molecular formula C13H13ClN4O4S and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID99799674
Molecular FormulaC13H13ClN4O4S
Molecular Weight356.79 g/mol
Exact Mass356.03
IUPAC Name5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O4S/c14-8-3-1-4-9(7-8)23(20,21)18-6-2-5-10(18)13-16-12(11(15)19)17-22-13/h1,3-4,7,10H,2,5-6H2,(H2,15,19)/t10-/m0/s1
InChIKeyXBWDDTBGSAHOCC-JTQLQIEISA-N
XLogP1.35
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206284
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
3-(3-chlorophenyl)-5-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206278
2-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576763
2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598859
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
1-(3-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 18146774
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
N-(4-chlorophenyl)-5-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071385
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
5-[1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 42765453

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 99799674) is 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XBWDDTBGSAHOCC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13ClN4O4S/c14-8-3-1-4-9(7-8)23(20,21)18-6-2-5-10(18)13-16-12(11(15)19)17-22-13/h1,3-4,7,10H,2,5-6H2,(H2,15,19)/t10-/m0/s1.
What are the key properties of 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 99799674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).