4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine

C19H22ClNO3S — CID 152771033

IUPAC4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
SMILESCCN1CCC(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClNO3S/c1-2-21-13-11-19(12-14-21)25(22,23)18-9-7-17(8-10-18)24-16-5-3-15(20)4-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyNVJLXHFAVYVNBG-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.39
Rot. Bonds5

About 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine (PubChem CID 152771033) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
PubChem CID152771033
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
SMILESCCN1CCC(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H22ClNO3S/c1-2-21-13-11-19(12-14-21)25(22,23)18-9-7-17(8-10-18)24-16-5-3-15(20)4-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyNVJLXHFAVYVNBG-UHFFFAOYSA-N
XLogP4.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine-4-carboxylic acid
CID 11015396
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
4-(4-chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
CID 67168485
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine (CID 152771033) is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine is CCN1CCC(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine?
The InChIKey is NVJLXHFAVYVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-2-21-13-11-19(12-14-21)25(22,23)18-9-7-17(8-10-18)24-16-5-3-15(20)4-6-16/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine?
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine has a molecular weight of 379.91 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine is sourced from PubChem (CID 152771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).