N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide

C15H25N3O5S2 — CID 110302048

IUPACN-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)CCOC)cc2)CC1
InChIInChI=1S/C15H25N3O5S2/c1-3-25(21,22)18-10-8-17(9-11-18)15-6-4-14(5-7-15)16-24(19,20)13-12-23-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyITTLAOQNHBPPMY-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.55
Rot. Bonds8

About N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide

N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide (PubChem CID 110302048) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
PubChem CID110302048
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC NameN-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)CCOC)cc2)CC1
InChIInChI=1S/C15H25N3O5S2/c1-3-25(21,22)18-10-8-17(9-11-18)15-6-4-14(5-7-15)16-24(19,20)13-12-23-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyITTLAOQNHBPPMY-UHFFFAOYSA-N
XLogP0.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
CID 62677742
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
CID 110627182
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
N-(2-methoxyethyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47800835
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide (CID 110302048) is N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide is CCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)CCOC)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The InChIKey is ITTLAOQNHBPPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-3-25(21,22)18-10-8-17(9-11-18)15-6-4-14(5-7-15)16-24(19,20)13-12-23-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110302048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).