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

C15H15FN2O4S — CID 67266976

IUPAC(3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(F)([C@H]2CCC(=O)C2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H15FN2O4S/c1-10-17-14(22-18-10)15(16,11-7-8-12(19)9-11)23(20,21)13-5-3-2-4-6-13/h2-6,11H,7-9H2,1H3/t11-,15?/m0/s1
InChIKeySHECFMFHVHUDGN-VPHXOMNUSA-N
MW338.36 g/mol
LogP2.34
Rot. Bonds4

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

(3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (PubChem CID 67266976) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
PubChem CID67266976
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name(3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one
SMILESCc1noc(C(F)([C@H]2CCC(=O)C2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H15FN2O4S/c1-10-17-14(22-18-10)15(16,11-7-8-12(19)9-11)23(20,21)13-5-3-2-4-6-13/h2-6,11H,7-9H2,1H3/t11-,15?/m0/s1
InChIKeySHECFMFHVHUDGN-VPHXOMNUSA-N
XLogP2.34
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one (CID 67266976) is (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[benzenesulfonyl-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)c2ccccc2)n1.
What is the InChIKey of (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
The InChIKey is SHECFMFHVHUDGN-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-10-17-14(22-18-10)15(16,11-7-8-12(19)9-11)23(20,21)13-5-3-2-4-6-13/h2-6,11H,7-9H2,1H3/t11-,15?/m0/s1.
What are the key properties of (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one?
(3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one has a molecular weight of 338.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzenesulfonyl-fluoro-(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 67266976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).