2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

C16H24ClN3O2S — CID 118308397

IUPAC2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1
InChIInChI=1S/C16H24ClN3O2S/c1-13-4-8-19(9-5-13)14-6-10-20(11-7-14)23(21,22)15-2-3-16(17)18-12-15/h2-3,12-14H,4-11H2,1H3
InChIKeyPZAONSZLSYXIKY-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (PubChem CID 118308397) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
PubChem CID118308397
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1
InChIInChI=1S/C16H24ClN3O2S/c1-13-4-8-19(9-5-13)14-6-10-20(11-7-14)23(21,22)15-2-3-16(17)18-12-15/h2-3,12-14H,4-11H2,1H3
InChIKeyPZAONSZLSYXIKY-UHFFFAOYSA-N
XLogP2.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.62
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

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
1-[(4-chlorophenyl)sulfonyl]-4-(1H-pyrrol-1-yl)piperidine
CID 2822457
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (CID 118308397) is 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1.
What is the InChIKey of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is PZAONSZLSYXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c1-13-4-8-19(9-5-13)14-6-10-20(11-7-14)23(21,22)15-2-3-16(17)18-12-15/h2-3,12-14H,4-11H2,1H3.
What are the key properties of 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 357.91 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 118308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).