N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide

C20H26FN3O2S — CID 29344638

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c21-19-8-4-5-9-20(19)24-15-13-23(14-16-24)12-11-22-27(25,26)17-10-18-6-2-1-3-7-18/h1-9,22H,10-17H2
InChIKeyZCUJBAOGNSDNLO-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.11
Rot. Bonds8

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide (PubChem CID 29344638) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
PubChem CID29344638
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3O2S/c21-19-8-4-5-9-20(19)24-15-13-23(14-16-24)12-11-22-27(25,26)17-10-18-6-2-1-3-7-18/h1-9,22H,10-17H2
InChIKeyZCUJBAOGNSDNLO-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide (CID 29344638) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The InChIKey is ZCUJBAOGNSDNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c21-19-8-4-5-9-20(19)24-15-13-23(14-16-24)12-11-22-27(25,26)17-10-18-6-2-1-3-7-18/h1-9,22H,10-17H2.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 29344638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).