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

C21H28FN3O3S — CID 29344673

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H28FN3O3S/c1-28-19-8-6-18(7-9-19)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)21-5-3-2-4-20(21)22/h2-9,23H,10-17H2,1H3
InChIKeyGZKALSQEMSWGNR-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.12
Rot. Bonds9

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

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 29344673) has the molecular formula C21H28FN3O3S and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID29344673
Molecular FormulaC21H28FN3O3S
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H28FN3O3S/c1-28-19-8-6-18(7-9-19)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)21-5-3-2-4-20(21)22/h2-9,23H,10-17H2,1H3
InChIKeyGZKALSQEMSWGNR-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 29344673) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is GZKALSQEMSWGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3S/c1-28-19-8-6-18(7-9-19)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)21-5-3-2-4-20(21)22/h2-9,23H,10-17H2,1H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 421.54 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 29344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).