(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

C9H10Cl2N2O3S — CID 103834699

IUPAC(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10Cl2N2O3S/c10-8-3-7(4-12-9(8)11)17(15,16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2/t6-/m1/s1
InChIKeyAIPRWVKPMGHJJP-ZCFIWIBFSA-N
MW297.16 g/mol
LogP1.14
Rot. Bonds2

About (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol

(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (PubChem CID 103834699) has the molecular formula C9H10Cl2N2O3S and a molecular weight of 297.16 g/mol. Its IUPAC name is (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
PubChem CID103834699
Molecular FormulaC9H10Cl2N2O3S
Molecular Weight297.16 g/mol
Exact Mass295.98
IUPAC Name(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10Cl2N2O3S/c10-8-3-7(4-12-9(8)11)17(15,16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2/t6-/m1/s1
InChIKeyAIPRWVKPMGHJJP-ZCFIWIBFSA-N
XLogP1.14
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.14
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

2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
2-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856893
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol (CID 103834699) is (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is AIPRWVKPMGHJJP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3S/c10-8-3-7(4-12-9(8)11)17(15,16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2/t6-/m1/s1.
What are the key properties of (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol?
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 297.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 103834699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).