1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

C9H11ClN2O3S — CID 62941378

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cccnc1Cl)N1CCC(O)C1
InChIInChI=1S/C9H11ClN2O3S/c10-9-8(2-1-4-11-9)16(14,15)12-5-3-7(13)6-12/h1-2,4,7,13H,3,5-6H2
InChIKeyRMHLCIIYKZHIGZ-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.49
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (PubChem CID 62941378) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
PubChem CID62941378
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cccnc1Cl)N1CCC(O)C1
InChIInChI=1S/C9H11ClN2O3S/c10-9-8(2-1-4-11-9)16(14,15)12-5-3-7(13)6-12/h1-2,4,7,13H,3,5-6H2
InChIKeyRMHLCIIYKZHIGZ-UHFFFAOYSA-N
XLogP0.49
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.49
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

2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
2-[(2-chloro-3-pyridinyl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855594
1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
1-[(3-hydrazinyl-2-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103301477
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62941328
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (CID 62941378) is 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1cccnc1Cl)N1CCC(O)C1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is RMHLCIIYKZHIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c10-9-8(2-1-4-11-9)16(14,15)12-5-3-7(13)6-12/h1-2,4,7,13H,3,5-6H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 262.72 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).