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

C25H32F3N3O2S — CID 44526728

IUPACN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCC(N3CCCCC3)CC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)21-5-4-6-24(19-21)34(32,33)29-22-9-7-20(8-10-22)11-16-30-17-12-23(13-18-30)31-14-2-1-3-15-31/h4-10,19,23,29H,1-3,11-18H2
InChIKeyDEVNVEIKQWBAEO-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.00
Rot. Bonds7

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

N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 44526728) has the molecular formula C25H32F3N3O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID44526728
Molecular FormulaC25H32F3N3O2S
Molecular Weight495.61 g/mol
Exact Mass495.22
IUPAC NameN-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCC(N3CCCCC3)CC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)21-5-4-6-24(19-21)34(32,33)29-22-9-7-20(8-10-22)11-16-30-17-12-23(13-18-30)31-14-2-1-3-15-31/h4-10,19,23,29H,1-3,11-18H2
InChIKeyDEVNVEIKQWBAEO-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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Related Compounds

1-Phenyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 1281338
N-(3,4-dimethylphenyl)-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 44525841
3-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 44525871
N-(3-methyl-4-propan-2-ylphenyl)-3-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 44526080
N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]naphthalene-1-sulfonamide
CID 44526704
4-ethyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526712
N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526724
5-fluoro-2-methyl-N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526726
4-ethyl-N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526727
4-phenyl-N-[4-[2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 44526733
N-[4-(3-cyclopentylpropyl)-2-fluorophenyl]-2-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 89939136
N-(2-fluoro-4-heptylphenyl)-2-hexyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 102594336

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 44526728) is N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(CCN2CCC(N3CCCCC3)CC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DEVNVEIKQWBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O2S/c26-25(27,28)21-5-4-6-24(19-21)34(32,33)29-22-9-7-20(8-10-22)11-16-30-17-12-23(13-18-30)31-14-2-1-3-15-31/h4-10,19,23,29H,1-3,11-18H2.
What are the key properties of N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(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-[4-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 44526728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).