2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol

C11H15ClN2O3S — CID 97326823

IUPAC2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1cncc(Cl)c1)N1CC[C@@H](CCO)C1
InChIInChI=1S/C11H15ClN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-14)2-4-15/h5-7,9,15H,1-4,8H2/t9-/m0/s1
InChIKeyDKQCQUSXPUGNPQ-VIFPVBQESA-N
MW290.77 g/mol
LogP1.13
Rot. Bonds4

About 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol

2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 97326823) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID97326823
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(c1cncc(Cl)c1)N1CC[C@@H](CCO)C1
InChIInChI=1S/C11H15ClN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-14)2-4-15/h5-7,9,15H,1-4,8H2/t9-/m0/s1
InChIKeyDKQCQUSXPUGNPQ-VIFPVBQESA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114150469
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
(3S,4S)-1-[(5-chloro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122104031
[1-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966572
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol (CID 97326823) is 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol is O=S(=O)(c1cncc(Cl)c1)N1CC[C@@H](CCO)C1.
What is the InChIKey of 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DKQCQUSXPUGNPQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-5-11(7-13-6-10)18(16,17)14-3-1-9(8-14)2-4-15/h5-7,9,15H,1-4,8H2/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol?
2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 290.77 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(5-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 97326823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).