3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

C20H23F3N2O3S — CID 69166496

IUPAC3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(-c2ccccc2)ccc(S(=O)(=O)NC2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-28-13-17-16(14-5-3-2-4-6-14)7-8-18(19(17)20(21,22)23)29(26,27)25-15-9-11-24-12-10-15/h2-8,15,24-25H,9-13H2,1H3
InChIKeyDFUMJPZROSFUFK-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.55
Rot. Bonds6

About 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 69166496) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID69166496
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1c(-c2ccccc2)ccc(S(=O)(=O)NC2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-28-13-17-16(14-5-3-2-4-6-14)7-8-18(19(17)20(21,22)23)29(26,27)25-15-9-11-24-12-10-15/h2-8,15,24-25H,9-13H2,1H3
InChIKeyDFUMJPZROSFUFK-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (CID 69166496) is 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is COCc1c(-c2ccccc2)ccc(S(=O)(=O)NC2CCNCC2)c1C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DFUMJPZROSFUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-28-13-17-16(14-5-3-2-4-6-14)7-8-18(19(17)20(21,22)23)29(26,27)25-15-9-11-24-12-10-15/h2-8,15,24-25H,9-13H2,1H3.
What are the key properties of 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69166496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).