(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

C20H23NO3S — CID 1433027

IUPAC(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-15-3-7-17(8-4-15)20(22)18-11-13-21(14-12-18)25(23,24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3
InChIKeyKTFYUOLSJRWVOV-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.59
Rot. Bonds4

About (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1433027) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1433027
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-15-3-7-17(8-4-15)20(22)18-11-13-21(14-12-18)25(23,24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3
InChIKeyKTFYUOLSJRWVOV-UHFFFAOYSA-N
XLogP3.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (CID 1433027) is (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is KTFYUOLSJRWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-3-7-17(8-4-15)20(22)18-11-13-21(14-12-18)25(23,24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3.
What are the key properties of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 357.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1433027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).