3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one

C15H15ClN2O4S — CID 67266856

IUPAC3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(C2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O4S/c1-9-17-15(22-18-9)14(10-5-6-12(19)7-10)23(20,21)13-4-2-3-11(16)8-13/h2-4,8,10,14H,5-7H2,1H3
InChIKeyFTPXNDHKORIGAF-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.92
Rot. Bonds4

About 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one

3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (PubChem CID 67266856) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
PubChem CID67266856
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(C2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O4S/c1-9-17-15(22-18-9)14(10-5-6-12(19)7-10)23(20,21)13-4-2-3-11(16)8-13/h2-4,8,10,14H,5-7H2,1H3
InChIKeyFTPXNDHKORIGAF-UHFFFAOYSA-N
XLogP2.92
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The IUPAC name of 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (CID 67266856) is 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one is Cc1noc(C(C2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The InChIKey is FTPXNDHKORIGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-17-15(22-18-9)14(10-5-6-12(19)7-10)23(20,21)13-4-2-3-11(16)8-13/h2-4,8,10,14H,5-7H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one has a molecular weight of 354.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonyl-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 67266856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).