4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C15H25N3O3S — CID 119966559

IUPAC4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCOCCc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3O3S/c1-21-13-6-14-2-4-15(5-3-14)22(19,20)17-9-12-18-10-7-16-8-11-18/h2-5,16-17H,6-13H2,1H3
InChIKeyWTQIVRZSMVRANH-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.06
Rot. Bonds8

About 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide

4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 119966559) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID119966559
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCOCCc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H25N3O3S/c1-21-13-6-14-2-4-15(5-3-14)22(19,20)17-9-12-18-10-7-16-8-11-18/h2-5,16-17H,6-13H2,1H3
InChIKeyWTQIVRZSMVRANH-UHFFFAOYSA-N
XLogP0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446751
4-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120720120
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966206
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-methoxy-3-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966675
3-methoxy-4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966293
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 119966559) is 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide is COCCc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is WTQIVRZSMVRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-21-13-6-14-2-4-15(5-3-14)22(19,20)17-9-12-18-10-7-16-8-11-18/h2-5,16-17H,6-13H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119966559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).