[(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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Related Compounds

ethyl 2-[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]acetate
CID 56994672
benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 69433308
(3S,5R)-1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidin-3-ol
CID 69429484
[(3S,5S)-1-naphthalen-2-ylsulfonyl-5-(3-phenylpropoxymethyl)pyrrolidin-3-yl] methanesulfonate
CID 90725845
2-naphthalen-2-ylsulfonyl-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline
CID 142630137
methyl 1-naphthalen-2-ylsulfonyl-4-(tribenzyl-λ4-sulfanyl)pyrrolidine-2-carboxylate
CID 141046954
3-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)methoxymethyl]benzoic acid
CID 87833219
3-[[(2S,4S)-1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl]methoxymethyl]benzoic acid
CID 87833216
[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
CID 138015263
(3S,5S)-1-naphthalen-2-ylsulfonyl-5-(3-phenylpropoxymethyl)pyrrolidine-3-thiol
CID 87831337
1-naphthalen-2-ylsulfonyl-5-[(2-phenylethylamino)methyl]pyrrolidine-3-thiol
CID 22671709
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734

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).