1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine

C18H21NO4S — CID 23607722

IUPAC1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-15-7-9-16(10-8-15)23-17-11-13-19(14-12-17)24(20,21)18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3
InChIKeyPKAQFWDCXQBKEJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.93
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine

1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine (PubChem CID 23607722) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
PubChem CID23607722
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21NO4S/c1-22-15-7-9-16(10-8-15)23-17-11-13-19(14-12-17)24(20,21)18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3
InChIKeyPKAQFWDCXQBKEJ-UHFFFAOYSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
N,N-diethyl-4-phenoxybenzenesulfonamide
CID 802736
4-(3-Piperidin-1-ylpropoxy)benzenesulfonamide
CID 70685675
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177
4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
CID 1099239
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-(4-Ethoxyphenyl)sulfonylazepane
CID 247216
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
1,1'-{[4-(4-Methoxyphenoxy)-1,3-phenylene]disulfonyl}dipiperidine
CID 1332103

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine (CID 23607722) is 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine is COc1ccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine?
The InChIKey is PKAQFWDCXQBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-15-7-9-16(10-8-15)23-17-11-13-19(14-12-17)24(20,21)18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine?
1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine has a molecular weight of 347.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine is sourced from PubChem (CID 23607722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).