[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol

C10H13ClN2O3S — CID 61409885

IUPAC[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1CO
InChIInChI=1S/C10H13ClN2O3S/c11-10-4-3-9(6-12-10)17(15,16)13-5-1-2-8(13)7-14/h3-4,6,8,14H,1-2,5,7H2
InChIKeyMXFHUAGYTBIJIM-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.88
Rot. Bonds3

About [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol

[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 61409885) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID61409885
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC1CO
InChIInChI=1S/C10H13ClN2O3S/c11-10-4-3-9(6-12-10)17(15,16)13-5-1-2-8(13)7-14/h3-4,6,8,14H,1-2,5,7H2
InChIKeyMXFHUAGYTBIJIM-UHFFFAOYSA-N
XLogP0.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
tert-butyl 2-[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-2-yl]acetate
CID 166419646
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol (CID 61409885) is [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(Cl)nc1)N1CCCC1CO.
What is the InChIKey of [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is MXFHUAGYTBIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-10-4-3-9(6-12-10)17(15,16)13-5-1-2-8(13)7-14/h3-4,6,8,14H,1-2,5,7H2.
What are the key properties of [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol?
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 276.74 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).