(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one

C19H19NO4S — CID 10522321

IUPAC(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C19H19NO4S/c21-18-11-10-17(24-18)19-16-9-5-4-6-14(16)12-13-20(19)25(22,23)15-7-2-1-3-8-15/h1-9,17,19H,10-13H2/t17-,19-/m1/s1
InChIKeyVFCRZEZCDQPTLX-IEBWSBKVSA-N
MW357.43 g/mol
LogP2.68
Rot. Bonds3

About (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one

(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one (PubChem CID 10522321) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one
PubChem CID10522321
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C19H19NO4S/c21-18-11-10-17(24-18)19-16-9-5-4-6-14(16)12-13-20(19)25(22,23)15-7-2-1-3-8-15/h1-9,17,19H,10-13H2/t17-,19-/m1/s1
InChIKeyVFCRZEZCDQPTLX-IEBWSBKVSA-N
XLogP2.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one (CID 10522321) is (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one is O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one?
The InChIKey is VFCRZEZCDQPTLX-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-18-11-10-17(24-18)19-16-9-5-4-6-14(16)12-13-20(19)25(22,23)15-7-2-1-3-8-15/h1-9,17,19H,10-13H2/t17-,19-/m1/s1.
What are the key properties of (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one?
(5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxolan-2-one is sourced from PubChem (CID 10522321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).