cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one

C17H16O3S — CID 15314170

IUPACcis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16O3S/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)21(19,20)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-,17-/m0/s1
InChIKeySWRBRFQUYWMPEY-RDJZCZTQSA-N
MW300.38 g/mol
LogP2.98
Rot. Bonds3

About cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one

cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one (PubChem CID 15314170) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
PubChem CID15314170
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Namecis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16O3S/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)21(19,20)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-,17-/m0/s1
InChIKeySWRBRFQUYWMPEY-RDJZCZTQSA-N
XLogP2.98
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-enone
CID 9818233
cis-(2R,3R)-2-(benzenesulfonyl)-2-benzyl-3-(2-oxopropyl)cyclohexan-1-one
CID 25163012
1,1-Diphenyl-3-(phenylsulfonyl)propan-2-one
CID 44437611
1-Phenyl-3-(phenylsulfonyl)propan-1-one
CID 44437631
4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
CID 237438
1-(4-Tert-butylphenyl)-2-(phenylsulfonyl)ethanone
CID 851314
5-Phenyl-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione
CID 2768905
3-(4-Methanesulfonyl-phenyl)-2-phenylethynyl-cyclopent-2-enone
CID 10520866
2-[(E)-2-(4-Fluoro-phenyl)-vinyl]-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10832104
cis-(2R,3R)-2-(benzenesulfonyl)-2-methyl-3-(2-oxopropyl)cyclohexan-1-one
CID 25163011

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one (CID 15314170) is cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one is O=C1CC[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The InChIKey is SWRBRFQUYWMPEY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H16O3S/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)21(19,20)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2/t15-,17-/m0/s1.
What are the key properties of cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one has a molecular weight of 300.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-(benzenesulfonyl)-3-phenylcyclopentan-1-one is sourced from PubChem (CID 15314170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).