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

C15H24Cl2N4O3S — CID 119843950

IUPAC4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCNC3)CC2)cc1
InChIInChI=1S/C15H22N4O3S.2ClH/c16-23(21,22)14-3-1-13(2-4-14)18-7-9-19(10-8-18)15(20)12-5-6-17-11-12;;/h1-4,12,17H,5-11H2,(H2,16,21,22);2*1H
InChIKeyVPZVXFVTKJVWIS-UHFFFAOYSA-N
MW411.36 g/mol
LogP0.44
Rot. Bonds3

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

4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (PubChem CID 119843950) has the molecular formula C15H24Cl2N4O3S and a molecular weight of 411.36 g/mol. Its IUPAC name is 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
PubChem CID119843950
Molecular FormulaC15H24Cl2N4O3S
Molecular Weight411.36 g/mol
Exact Mass410.09
IUPAC Name4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCNC3)CC2)cc1
InChIInChI=1S/C15H22N4O3S.2ClH/c16-23(21,22)14-3-1-13(2-4-14)18-7-9-19(10-8-18)15(20)12-5-6-17-11-12;;/h1-4,12,17H,5-11H2,(H2,16,21,22);2*1H
InChIKeyVPZVXFVTKJVWIS-UHFFFAOYSA-N
XLogP0.44
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(pyrrolidine-3-carbonyl)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

(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81118918
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
[4-(3-nitrophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119858316
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843917

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (CID 119843950) is 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is Cl.Cl.NS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCNC3)CC2)cc1.
What is the InChIKey of 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is VPZVXFVTKJVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S.2ClH/c16-23(21,22)14-3-1-13(2-4-14)18-7-9-19(10-8-18)15(20)12-5-6-17-11-12;;/h1-4,12,17H,5-11H2,(H2,16,21,22);2*1H.
What are the key properties of 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 411.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119843950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).