2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C19H21N3O5S — CID 2121746

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O5S/c23-19(20-15-6-7-17-18(12-15)27-14-26-17)13-21-8-10-22(11-9-21)28(24,25)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
InChIKeySZAOIOKJGKYWBO-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.36
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 2121746) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID2121746
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O5S/c23-19(20-15-6-7-17-18(12-15)27-14-26-17)13-21-8-10-22(11-9-21)28(24,25)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
InChIKeySZAOIOKJGKYWBO-UHFFFAOYSA-N
XLogP1.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
1-(1,3-Benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
1-(1,3-Benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 17298730
N-Benzo[1,3]dioxol-5-yl-3-[4-(2-fluoro-phenyl)-piperazin-1-yl]-propionamide
CID 656215
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
CID 1149625
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
1-(4-acetamidophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide
CID 3164173
N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetamide
CID 1537070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 2121746) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is SZAOIOKJGKYWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(20-15-6-7-17-18(12-15)27-14-26-17)13-21-8-10-22(11-9-21)28(24,25)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).