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

C21H28ClN3O3S — CID 29344635

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-28-21-8-2-18(3-9-21)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)20-6-4-19(22)5-7-20/h2-9,23H,10-17H2,1H3
InChIKeyGJUABXZJHYBBKM-UHFFFAOYSA-N
MW437.99 g/mol
LogP2.63
Rot. Bonds9

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

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 29344635) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID29344635
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-28-21-8-2-18(3-9-21)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)20-6-4-19(22)5-7-20/h2-9,23H,10-17H2,1H3
InChIKeyGJUABXZJHYBBKM-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 29344500
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 42267599
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 29344635) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is GJUABXZJHYBBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-28-21-8-2-18(3-9-21)10-17-29(26,27)23-11-12-24-13-15-25(16-14-24)20-6-4-19(22)5-7-20/h2-9,23H,10-17H2,1H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 437.99 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 29344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).