1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine

C19H23NO4S — CID 3497445

IUPAC1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H23NO4S/c1-15-7-5-6-14-20(15)25(21,22)17-12-10-16(11-13-17)24-19-9-4-3-8-18(19)23-2/h3-4,8-13,15H,5-7,14H2,1-2H3
InChIKeyDKWBCHYIGHCGOO-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.05
Rot. Bonds5

About 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine

1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine (PubChem CID 3497445) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine
PubChem CID3497445
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H23NO4S/c1-15-7-5-6-14-20(15)25(21,22)17-12-10-16(11-13-17)24-19-9-4-3-8-18(19)23-2/h3-4,8-13,15H,5-7,14H2,1-2H3
InChIKeyDKWBCHYIGHCGOO-UHFFFAOYSA-N
XLogP4.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine?
The IUPAC name of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine (CID 3497445) is 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine is COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine?
The InChIKey is DKWBCHYIGHCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15-7-5-6-14-20(15)25(21,22)17-12-10-16(11-13-17)24-19-9-4-3-8-18(19)23-2/h3-4,8-13,15H,5-7,14H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine?
1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine has a molecular weight of 361.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-2-methylpiperidine is sourced from PubChem (CID 3497445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).