(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane

C19H18O2S — CID 23726952

IUPAC(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane
SMILESO=S(=O)(c1ccccc1)C12[C@@H]3CCC[C@H]1C32c1ccccc1
InChIInChI=1S/C19H18O2S/c20-22(21,15-10-5-2-6-11-15)19-16-12-7-13-17(19)18(16,19)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+,18?,19?
InChIKeyBUHZRACPBSEWGQ-LPOKXYRGSA-N
MW310.42 g/mol
LogP3.58
Rot. Bonds3

About (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane

(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane (PubChem CID 23726952) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane.

Molecular Properties

Compound Name(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane
PubChem CID23726952
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane
SMILESO=S(=O)(c1ccccc1)C12[C@@H]3CCC[C@H]1C32c1ccccc1
InChIInChI=1S/C19H18O2S/c20-22(21,15-10-5-2-6-11-15)19-16-12-7-13-17(19)18(16,19)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+,18?,19?
InChIKeyBUHZRACPBSEWGQ-LPOKXYRGSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
(1S,5R)-3-(benzenesulfonyl)-3-phenyl-6-oxabicyclo[3.1.0]hexane
CID 10870308
(1S,2S,5R,6R)-1,2-bis(benzenesulfonyl)tricyclo[4.2.0.02,5]octane
CID 11090383
6-(benzenesulfonyl)-7-phenyl-6-azabicyclo[3.1.1]heptan-7-ol
CID 171767835
1-(benzenesulfonyl)bicyclo[2.1.0]pentane
CID 15737679
[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
CID 11004939
N-[6-(benzenesulfonamido)-3-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]benzenesulfonamide
CID 53497603
N-[5-(benzenesulfonamido)-7,7-diphenyl-2-bicyclo[4.1.0]hepta-1,3,5-trienyl]benzenesulfonamide
CID 134865952
(2,6-dimethylcyclohexyl) benzenesulfonate
CID 89440118
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052
7-(benzenesulfonyl)-6,6-dibromobicyclo[3.1.1]heptane
CID 4585569

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane?
The IUPAC name of (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane (CID 23726952) is (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane.
What is the SMILES notation for (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane?
The canonical SMILES for (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane is O=S(=O)(c1ccccc1)C12[C@@H]3CCC[C@H]1C32c1ccccc1.
What is the InChIKey of (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane?
The InChIKey is BUHZRACPBSEWGQ-LPOKXYRGSA-N. The full InChI is InChI=1S/C19H18O2S/c20-22(21,15-10-5-2-6-11-15)19-16-12-7-13-17(19)18(16,19)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+,18?,19?.
What are the key properties of (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane?
(2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane has a molecular weight of 310.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(benzenesulfonyl)-7-phenyltricyclo[4.1.0.02,7]heptane is sourced from PubChem (CID 23726952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).