N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide

C25H32F3N3O2S — CID 44526705

IUPACN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)23-9-2-3-10-24(23)34(32,33)29-21-8-6-7-20(19-21)11-16-30-17-12-22(13-18-30)31-14-4-1-5-15-31/h2-3,6-10,19,22,29H,1,4-5,11-18H2
InChIKeyCVFOPUSOPYXPCA-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.00
Rot. Bonds7

About N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 44526705) has the molecular formula C25H32F3N3O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID44526705
Molecular FormulaC25H32F3N3O2S
Molecular Weight495.61 g/mol
Exact Mass495.22
IUPAC NameN-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)23-9-2-3-10-24(23)34(32,33)29-21-8-6-7-20(19-21)11-16-30-17-12-22(13-18-30)31-14-4-1-5-15-31/h2-3,6-10,19,22,29H,1,4-5,11-18H2
InChIKeyCVFOPUSOPYXPCA-UHFFFAOYSA-N
XLogP5.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 44526705) is N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CVFOPUSOPYXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O2S/c26-25(27,28)23-9-2-3-10-24(23)34(32,33)29-21-8-6-7-20(19-21)11-16-30-17-12-22(13-18-30)31-14-4-1-5-15-31/h2-3,6-10,19,22,29H,1,4-5,11-18H2.
What are the key properties of N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 495.61 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 44526705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).