4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide

C16H23N3O5S — CID 34840068

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-13(20)18-8-10-19(11-9-18)16(21)14-3-5-15(6-4-14)25(22,23)17-7-12-24-2/h3-6,17H,7-12H2,1-2H3
InChIKeyWEFHVOIKADKFHP-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.08
Rot. Bonds6

About 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide

4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 34840068) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID34840068
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-13(20)18-8-10-19(11-9-18)16(21)14-3-5-15(6-4-14)25(22,23)17-7-12-24-2/h3-6,17H,7-12H2,1-2H3
InChIKeyWEFHVOIKADKFHP-UHFFFAOYSA-N
XLogP-0.08
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956569
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 24584236
4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 71907693
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 119636884
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355684
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide
CID 46088510

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 34840068) is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is WEFHVOIKADKFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-13(20)18-8-10-19(11-9-18)16(21)14-3-5-15(6-4-14)25(22,23)17-7-12-24-2/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 34840068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).