4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine

C19H23NO3S — CID 57482552

IUPAC4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-3-9-19(10-4-15)24(21,22)20-13-11-17(12-14-20)16-5-7-18(23-2)8-6-16/h3-10,17H,11-14H2,1-2H3
InChIKeyVGHGVOPKYJWTNH-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine

4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 57482552) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID57482552
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-3-9-19(10-4-15)24(21,22)20-13-11-17(12-14-20)16-5-7-18(23-2)8-6-16/h3-10,17H,11-14H2,1-2H3
InChIKeyVGHGVOPKYJWTNH-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
4-[2-(4-methoxyphenyl)ethynyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 162402019
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
2-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylbenzoyl]amino]acetic acid
CID 171349451
5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 50916592
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
CID 121084286
3-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 132966939

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine (CID 57482552) is 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine is COc1ccc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is VGHGVOPKYJWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-3-9-19(10-4-15)24(21,22)20-13-11-17(12-14-20)16-5-7-18(23-2)8-6-16/h3-10,17H,11-14H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 345.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 57482552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).