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

C13H14ClN3O5S2 — CID 9187917

IUPAC2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClN3O5S2/c1-23(18,19)13-16-15-12(22-13)11-3-2-8-17(11)24(20,21)10-6-4-9(14)5-7-10/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyKREFQAVQDNMYMO-NSHDSACASA-N
MW391.86 g/mol
LogP1.65
Rot. Bonds4

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

2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 9187917) has the molecular formula C13H14ClN3O5S2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID9187917
Molecular FormulaC13H14ClN3O5S2
Molecular Weight391.86 g/mol
Exact Mass391.01
IUPAC Name2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClN3O5S2/c1-23(18,19)13-16-15-12(22-13)11-3-2-8-17(11)24(20,21)10-6-4-9(14)5-7-10/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyKREFQAVQDNMYMO-NSHDSACASA-N
XLogP1.65
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 11937567
2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 9188003
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 46107748
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole
CID 100667905
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole (CID 9187917) is 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole is CS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is KREFQAVQDNMYMO-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN3O5S2/c1-23(18,19)13-16-15-12(22-13)11-3-2-8-17(11)24(20,21)10-6-4-9(14)5-7-10/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 391.86 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 9187917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).