4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide

C19H28N4O3S — CID 119843929

IUPAC4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1
InChIInChI=1S/C19H28N4O3S/c20-27(25,26)18-5-3-17(4-6-18)22-7-9-23(10-8-22)19(24)13-14-11-15-1-2-16(12-14)21-15/h3-6,14-16,21H,1-2,7-13H2,(H2,20,25,26)
InChIKeyXDGIOPPFKDEGHJ-UHFFFAOYSA-N
MW392.53 g/mol
LogP0.90
Rot. Bonds4

About 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 119843929) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide
PubChem CID119843929
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1
InChIInChI=1S/C19H28N4O3S/c20-27(25,26)18-5-3-17(4-6-18)22-7-9-23(10-8-22)19(24)13-14-11-15-1-2-16(12-14)21-15/h3-6,14-16,21H,1-2,7-13H2,(H2,20,25,26)
InChIKeyXDGIOPPFKDEGHJ-UHFFFAOYSA-N
XLogP0.90
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138753317
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8518042
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1151669
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
CID 2973406
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685
N-(4-((4-(Cyclopentanecarbonyl)piperazin-1-yl)sulfonyl)phenyl)acrylamide
CID 52938669
N-[4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56954220
N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1151697
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-cyclohexylpropanamide
CID 2947893
N-{4-[({[4-(piperidin-1-ylcarbonyl)cyclohexyl]methyl}amino)sulfonyl]phenyl}acetamide
CID 4340275

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide (CID 119843929) is 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(C(=O)CC3CC4CCC(C3)N4)CC2)cc1.
What is the InChIKey of 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is XDGIOPPFKDEGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c20-27(25,26)18-5-3-17(4-6-18)22-7-9-23(10-8-22)19(24)13-14-11-15-1-2-16(12-14)21-15/h3-6,14-16,21H,1-2,7-13H2,(H2,20,25,26).
What are the key properties of 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 119843929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).