4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

C19H22ClNO4S — CID 110358902

IUPAC4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H22ClNO4S/c1-14-12-17(24-2)6-7-19(14)26(22,23)21-10-8-16(9-11-21)25-18-5-3-4-15(20)13-18/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyBGEQMMMPKKKDKM-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.89
Rot. Bonds5

About 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 110358902) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID110358902
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H22ClNO4S/c1-14-12-17(24-2)6-7-19(14)26(22,23)21-10-8-16(9-11-21)25-18-5-3-4-15(20)13-18/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyBGEQMMMPKKKDKM-UHFFFAOYSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
4-[1-[1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617492
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
CID 110357844
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 110358902) is 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c(C)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is BGEQMMMPKKKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-14-12-17(24-2)6-7-19(14)26(22,23)21-10-8-16(9-11-21)25-18-5-3-4-15(20)13-18/h3-7,12-13,16H,8-11H2,1-2H3.
What are the key properties of 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 395.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110358902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).