[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone

C19H21ClN2O4S — CID 67168485

IUPAC[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3
InChIKeyJMDOKKNQZYIJGI-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.21
Rot. Bonds5

About [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (PubChem CID 67168485) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
PubChem CID67168485
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3
InChIKeyJMDOKKNQZYIJGI-UHFFFAOYSA-N
XLogP3.21
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
[4-(benzenesulfonyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 90589363
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591730
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97417197
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
CID 152771033
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
[4-[4-[4-(methoxymethyl)phenyl]phenyl]sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 24731052

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (CID 67168485) is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is CCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The InChIKey is JMDOKKNQZYIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone has a molecular weight of 408.91 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is sourced from PubChem (CID 67168485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).