2-(benzenesulfonyl)-3-phenylcyclopentan-1-one

C17H16O3S — CID 73191675

IUPAC2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
SMILESO=C1CCC(c2ccccc2)C1S(=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
InChIKeySWRBRFQUYWMPEY-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.98
Rot. Bonds3

About 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one

2-(benzenesulfonyl)-3-phenylcyclopentan-1-one (PubChem CID 73191675) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
PubChem CID73191675
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
SMILESO=C1CCC(c2ccccc2)C1S(=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
InChIKeySWRBRFQUYWMPEY-UHFFFAOYSA-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

Analyze 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(2R,3S)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11128783
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
CID 11199116
(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
CID 101269410
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
CID 11728948
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
(4R)-4-(benzenesulfonyl)azetidin-2-one
CID 51374299
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
CID 10592538
(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
4-(benzenesulfonyl)-5-chlorocycloheptan-1-one
CID 11033473

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one (CID 73191675) is 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one is O=C1CCC(c2ccccc2)C1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
The InChIKey is SWRBRFQUYWMPEY-UHFFFAOYSA-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.
What are the key properties of 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one?
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 2-(benzenesulfonyl)-3-phenylcyclopentan-1-one is sourced from PubChem (CID 73191675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).