4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

C15H17ClN2O3S — CID 46366376

IUPAC4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O3S/c1-10-15(11(2)21-17-10)14-7-4-8-18(14)22(19,20)13-6-3-5-12(16)9-13/h3,5-6,9,14H,4,7-8H2,1-2H3
InChIKeyUDQAQLPPUZXCDW-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.47
Rot. Bonds3

About 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 46366376) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID46366376
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O3S/c1-10-15(11(2)21-17-10)14-7-4-8-18(14)22(19,20)13-6-3-5-12(16)9-13/h3,5-6,9,14H,4,7-8H2,1-2H3
InChIKeyUDQAQLPPUZXCDW-UHFFFAOYSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 46366376) is 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C1CCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UDQAQLPPUZXCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-10-15(11(2)21-17-10)14-7-4-8-18(14)22(19,20)13-6-3-5-12(16)9-13/h3,5-6,9,14H,4,7-8H2,1-2H3.
What are the key properties of 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 340.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 46366376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).