3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine

C11H14BrClN2O2S — CID 3818861

IUPAC3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCCN1S(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c1-8-4-2-3-5-15(8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyLOGJJCMKGUADRX-UHFFFAOYSA-N
MW353.67 g/mol
LogP3.06
Rot. Bonds2

About 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine

3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 3818861) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID3818861
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCCCN1S(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2S/c1-8-4-2-3-5-15(8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyLOGJJCMKGUADRX-UHFFFAOYSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 53.06
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

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
3-Bromo-2-chloro-5-(4-ethylpiperazin-1-ylsulfonyl)pyridine
CID 1034224
1-[(5-Bromo-6-chloropyridin-3-yl)sulfonyl]-4-methylpiperazine
CID 3957358
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201
5,6-dichloro-N,N-diethyl-3-pyridinesulfonamide
CID 826913
3-Bromo-2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]pyridine
CID 1034227
2-[(5-Bromo-6-chloro-3-pyridinyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane
CID 44427096
1-[(6-Chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
CID 822459
5-Bromopyridine-3-sulfonamide
CID 12684258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine (CID 3818861) is 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine is CC1CCCCN1S(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is LOGJJCMKGUADRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-8-4-2-3-5-15(8)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine?
3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 353.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(2-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 3818861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).