2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine

C11H15ClN2O3S — CID 102957078

IUPAC2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
SMILESCOC1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-9-3-2-6-14(8-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPYZFQOLBOCCVHB-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine

2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine (PubChem CID 102957078) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
PubChem CID102957078
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
SMILESCOC1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-9-3-2-6-14(8-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyPYZFQOLBOCCVHB-UHFFFAOYSA-N
XLogP1.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.53
H-Bond Donors ≤ 50
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-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
CID 79183789
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-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
CID 103532783
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine (CID 102957078) is 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine is COC1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine?
The InChIKey is PYZFQOLBOCCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-17-9-3-2-6-14(8-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine?
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine has a molecular weight of 290.77 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 102957078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).