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

C15H14ClFN2O4S — CID 67268096

IUPAC(3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(F)([C@H]2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClFN2O4S/c1-9-18-14(23-19-9)15(17,10-5-6-12(20)7-10)24(21,22)13-4-2-3-11(16)8-13/h2-4,8,10H,5-7H2,1H3/t10-,15?/m0/s1
InChIKeyOLHUCYRULHVAMU-MYHCZTBNSA-N
MW372.81 g/mol
LogP3.00
Rot. Bonds4

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

(3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (PubChem CID 67268096) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
PubChem CID67268096
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC Name(3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(F)([C@H]2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClFN2O4S/c1-9-18-14(23-19-9)15(17,10-5-6-12(20)7-10)24(21,22)13-4-2-3-11(16)8-13/h2-4,8,10H,5-7H2,1H3/t10-,15?/m0/s1
InChIKeyOLHUCYRULHVAMU-MYHCZTBNSA-N
XLogP3.00
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (CID 67268096) is (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one is Cc1noc(C(F)([C@H]2CCC(=O)C2)S(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The InChIKey is OLHUCYRULHVAMU-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c1-9-18-14(23-19-9)15(17,10-5-6-12(20)7-10)24(21,22)13-4-2-3-11(16)8-13/h2-4,8,10H,5-7H2,1H3/t10-,15?/m0/s1.
What are the key properties of (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
(3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one has a molecular weight of 372.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-chlorophenyl)sulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 67268096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).