1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine

C19H23NO3S — CID 66486087

IUPAC1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-11-13-20(14-12-15)24(21,22)19-9-5-17(6-10-19)16-3-7-18(23-2)8-4-16/h3-10,15H,11-14H2,1-2H3
InChIKeyGNRQORLKDJHLBX-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine (PubChem CID 66486087) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
PubChem CID66486087
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-11-13-20(14-12-15)24(21,22)19-9-5-17(6-10-19)16-3-7-18(23-2)8-4-16/h3-10,15H,11-14H2,1-2H3
InChIKeyGNRQORLKDJHLBX-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-[4-(4-bromophenoxy)phenyl]sulfonyl-4-methylpiperidine
CID 91806952
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
CID 168527732
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine (CID 66486087) is 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine?
The InChIKey is GNRQORLKDJHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-11-13-20(14-12-15)24(21,22)19-9-5-17(6-10-19)16-3-7-18(23-2)8-4-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine?
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine has a molecular weight of 345.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 66486087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).