[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol

C13H18ClNO3S — CID 62046870

IUPAC[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCN1CCC[C@@H]1CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1
InChIKeyJRHXWCVOBYSSMY-GFCCVEGCSA-N
MW303.81 g/mol
LogP1.57
Rot. Bonds5

About [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol (PubChem CID 62046870) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
PubChem CID62046870
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCN1CCC[C@@H]1CO)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1
InChIKeyJRHXWCVOBYSSMY-GFCCVEGCSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
CID 63256082
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
CID 39991594
4-[2-(2-ethylpyrrolidin-1-yl)ethylsulfonyl]benzonitrile
CID 79507311
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
CID 141118156
1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
CID 115966792
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
1-[(4-chlorophenyl)methyl]-3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]urea
CID 95763323
[(2R)-1-[3-(4-chlorophenyl)prop-2-ynyl]pyrrolidin-2-yl]methanol
CID 111825476

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol (CID 62046870) is [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol is O=S(=O)(CCN1CCC[C@@H]1CO)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is JRHXWCVOBYSSMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(15)10-16/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1.
What are the key properties of [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 303.81 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62046870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).