3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine

C14H18ClN3O2S — CID 136574904

IUPAC3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1cnc(N2CC=CCC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H18ClN3O2S/c15-13-10-12(21(19,20)18-8-4-5-9-18)11-16-14(13)17-6-2-1-3-7-17/h1-2,10-11H,3-9H2
InChIKeyCDDBOJNAJKQVAV-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine

3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 136574904) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID136574904
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1cnc(N2CC=CCC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H18ClN3O2S/c15-13-10-12(21(19,20)18-8-4-5-9-18)11-16-14(13)17-6-2-1-3-7-17/h1-2,10-11H,3-9H2
InChIKeyCDDBOJNAJKQVAV-UHFFFAOYSA-N
XLogP2.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide
CID 136574884
2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyrimidine
CID 114408721
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
5-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 82222980
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine (CID 136574904) is 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1cnc(N2CC=CCC2)c(Cl)c1)N1CCCC1.
What is the InChIKey of 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is CDDBOJNAJKQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-13-10-12(21(19,20)18-8-4-5-9-18)11-16-14(13)17-6-2-1-3-7-17/h1-2,10-11H,3-9H2.
What are the key properties of 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 327.84 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 136574904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).