[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol

C22H23NO4S — CID 57063024

IUPAC[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C[C@H](OCc2ccccc2)C[C@H]1CO
InChIInChI=1S/C22H23NO4S/c24-15-20-13-21(27-16-17-6-2-1-3-7-17)14-23(20)28(25,26)22-11-10-18-8-4-5-9-19(18)12-22/h1-12,20-21,24H,13-16H2/t20-,21+/m0/s1
InChIKeyHKJMOZGLWUHMQD-LEWJYISDSA-N
MW397.50 g/mol
LogP3.18
Rot. Bonds6

About [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol (PubChem CID 57063024) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol
PubChem CID57063024
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C[C@H](OCc2ccccc2)C[C@H]1CO
InChIInChI=1S/C22H23NO4S/c24-15-20-13-21(27-16-17-6-2-1-3-7-17)14-23(20)28(25,26)22-11-10-18-8-4-5-9-19(18)12-22/h1-12,20-21,24H,13-16H2/t20-,21+/m0/s1
InChIKeyHKJMOZGLWUHMQD-LEWJYISDSA-N
XLogP3.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol (CID 57063024) is [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol is O=S(=O)(c1ccc2ccccc2c1)N1C[C@H](OCc2ccccc2)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol?
The InChIKey is HKJMOZGLWUHMQD-LEWJYISDSA-N. The full InChI is InChI=1S/C22H23NO4S/c24-15-20-13-21(27-16-17-6-2-1-3-7-17)14-23(20)28(25,26)22-11-10-18-8-4-5-9-19(18)12-22/h1-12,20-21,24H,13-16H2/t20-,21+/m0/s1.
What are the key properties of [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol has a molecular weight of 397.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 57063024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).