5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine

C12H16BrClN2O2S — CID 62332316

IUPAC5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C(C)C1
InChIInChI=1S/C12H16BrClN2O2S/c1-8-3-4-16(9(2)5-8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3
InChIKeyYUCQLCBTWXDKBZ-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.31
Rot. Bonds2

About 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine

5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine (PubChem CID 62332316) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
PubChem CID62332316
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C(C)C1
InChIInChI=1S/C12H16BrClN2O2S/c1-8-3-4-16(9(2)5-8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3
InChIKeyYUCQLCBTWXDKBZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238159
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
(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-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
1-[2-bromo-5-(chloromethyl)-3-methylphenyl]sulfonyl-2,4-dimethylpiperidine
CID 114363469
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 61073342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine (CID 62332316) is 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C(C)C1.
What is the InChIKey of 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is YUCQLCBTWXDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-8-3-4-16(9(2)5-8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine?
5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 367.70 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 62332316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).