(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol

C9H11ClN2O3S — CID 107877670

IUPAC(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H11ClN2O3S/c10-9-5-8(1-3-11-9)16(14,15)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2/t7-/m1/s1
InChIKeyVZKSIDAJJMEQOF-SSDOTTSWSA-N
MW262.72 g/mol
LogP0.49
Rot. Bonds2

About (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol

(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol (PubChem CID 107877670) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
PubChem CID107877670
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccnc(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H11ClN2O3S/c10-9-5-8(1-3-11-9)16(14,15)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2/t7-/m1/s1
InChIKeyVZKSIDAJJMEQOF-SSDOTTSWSA-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-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095
3-[(2-chloro-4-pyridinyl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170156
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
CID 79183789
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 61045619
1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61045541
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol (CID 107877670) is (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1ccnc(Cl)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is VZKSIDAJJMEQOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c10-9-5-8(1-3-11-9)16(14,15)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2/t7-/m1/s1.
What are the key properties of (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol?
(3R)-1-[(2-chloro-4-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 (3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 107877670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).