[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14ClNO3S — CID 61408875

IUPAC[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1CO
InChIInChI=1S/C11H14ClNO3S/c12-10-5-1-2-6-11(10)17(15,16)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyQWMLYJBXXOQHNM-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.49
Rot. Bonds3

About [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61408875) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61408875
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC1CO
InChIInChI=1S/C11H14ClNO3S/c12-10-5-1-2-6-11(10)17(15,16)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyQWMLYJBXXOQHNM-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136016
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 61407406
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
methyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 79028511
4-chloro-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 80695525
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
methyl 4-chloro-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 66261324
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 61408875) is [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1ccccc1Cl)N1CCCC1CO.
What is the InChIKey of [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is QWMLYJBXXOQHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-10-5-1-2-6-11(10)17(15,16)13-7-3-4-9(13)8-14/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 275.76 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61408875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).