2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine

C17H19ClN2O4S2 — CID 110234267

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccnc1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN2O4S2/c1-25(21,22)16-5-2-10-19-17(16)13-4-3-11-20(12-13)26(23,24)15-8-6-14(18)7-9-15/h2,5-10,13H,3-4,11-12H2,1H3
InChIKeyQVJBCBYVJSQXDR-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine

2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine (PubChem CID 110234267) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
PubChem CID110234267
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccnc1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN2O4S2/c1-25(21,22)16-5-2-10-19-17(16)13-4-3-11-20(12-13)26(23,24)15-8-6-14(18)7-9-15/h2,5-10,13H,3-4,11-12H2,1H3
InChIKeyQVJBCBYVJSQXDR-UHFFFAOYSA-N
XLogP2.71
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine (CID 110234267) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine is CS(=O)(=O)c1cccnc1C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The InChIKey is QVJBCBYVJSQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-25(21,22)16-5-2-10-19-17(16)13-4-3-11-20(12-13)26(23,24)15-8-6-14(18)7-9-15/h2,5-10,13H,3-4,11-12H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine has a molecular weight of 414.94 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine is sourced from PubChem (CID 110234267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).