7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane

C14H18BrClN2O3S — CID 166416203

IUPAC7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(S(=O)(=O)c3cc(Br)cnc3Cl)CC2)C1
InChIInChI=1S/C14H18BrClN2O3S/c1-21-11-7-14(8-11)2-4-18(5-3-14)22(19,20)12-6-10(15)9-17-13(12)16/h6,9,11H,2-5,7-8H2,1H3
InChIKeyWDEVPWFUSKRJOG-UHFFFAOYSA-N
MW409.73 g/mol
LogP3.08
Rot. Bonds3

About 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane

7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane (PubChem CID 166416203) has the molecular formula C14H18BrClN2O3S and a molecular weight of 409.73 g/mol. Its IUPAC name is 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
PubChem CID166416203
Molecular FormulaC14H18BrClN2O3S
Molecular Weight409.73 g/mol
Exact Mass407.99
IUPAC Name7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(S(=O)(=O)c3cc(Br)cnc3Cl)CC2)C1
InChIInChI=1S/C14H18BrClN2O3S/c1-21-11-7-14(8-11)2-4-18(5-3-14)22(19,20)12-6-10(15)9-17-13(12)16/h6,9,11H,2-5,7-8H2,1H3
InChIKeyWDEVPWFUSKRJOG-UHFFFAOYSA-N
XLogP3.08
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.73
LogP ≤ 53.08
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

5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
CID 54975156
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
1-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-4-(cyclopropylmethyl)piperazine
CID 61059092
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
[5-bromo-3-(4-methoxypiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61299120
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane
CID 166304187
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane (CID 166416203) is 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane is COC1CC2(CCN(S(=O)(=O)c3cc(Br)cnc3Cl)CC2)C1.
What is the InChIKey of 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is WDEVPWFUSKRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O3S/c1-21-11-7-14(8-11)2-4-18(5-3-14)22(19,20)12-6-10(15)9-17-13(12)16/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane?
7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 409.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166416203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).