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

C17H18Cl2N2O4S2 — CID 95853872

IUPAC5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-26(22,23)16-9-14(19)10-20-17(16)12-3-2-8-21(11-12)27(24,25)15-6-4-13(18)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1
InChIKeyPXJRHOJXVKMNMQ-LBPRGKRZSA-N
MW449.38 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine

5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine (PubChem CID 95853872) has the molecular formula C17H18Cl2N2O4S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
PubChem CID95853872
Molecular FormulaC17H18Cl2N2O4S2
Molecular Weight449.38 g/mol
Exact Mass448.01
IUPAC Name5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18Cl2N2O4S2/c1-26(22,23)16-9-14(19)10-20-17(16)12-3-2-8-21(11-12)27(24,25)15-6-4-13(18)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1
InChIKeyPXJRHOJXVKMNMQ-LBPRGKRZSA-N
XLogP3.36
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 110234267
[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
CID 110234282
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
CID 124783682
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The IUPAC name of 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine (CID 95853872) is 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine.
What is the SMILES notation for 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The canonical SMILES for 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine is CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
The InChIKey is PXJRHOJXVKMNMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S2/c1-26(22,23)16-9-14(19)10-20-17(16)12-3-2-8-21(11-12)27(24,25)15-6-4-13(18)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine?
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine has a molecular weight of 449.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine is sourced from PubChem (CID 95853872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).