4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

C13H22Cl2N4O3S — CID 119843946

IUPAC4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H20N4O3S.2ClH/c14-6-5-13(18)17-9-7-16(8-10-17)11-1-3-12(4-2-11)21(15,19)20;;/h1-4H,5-10,14H2,(H2,15,19,20);2*1H
InChIKeyXDPHRVCFZXWKAW-UHFFFAOYSA-N
MW385.32 g/mol
LogP0.17
Rot. Bonds4

About 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (PubChem CID 119843946) has the molecular formula C13H22Cl2N4O3S and a molecular weight of 385.32 g/mol. Its IUPAC name is 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
PubChem CID119843946
Molecular FormulaC13H22Cl2N4O3S
Molecular Weight385.32 g/mol
Exact Mass384.08
IUPAC Name4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H20N4O3S.2ClH/c14-6-5-13(18)17-9-7-16(8-10-17)11-1-3-12(4-2-11)21(15,19)20;;/h1-4H,5-10,14H2,(H2,15,19,20);2*1H
InChIKeyXDPHRVCFZXWKAW-UHFFFAOYSA-N
XLogP0.17
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride 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

3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 166184387
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843917
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (CID 119843946) is 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is Cl.Cl.NCCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is XDPHRVCFZXWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S.2ClH/c14-6-5-13(18)17-9-7-16(8-10-17)11-1-3-12(4-2-11)21(15,19)20;;/h1-4H,5-10,14H2,(H2,15,19,20);2*1H.
What are the key properties of 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 385.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119843946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).