4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

C14H24Cl2N4O3S — CID 119843903

IUPAC4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-14(2,15)13(19)18-9-7-17(8-10-18)11-3-5-12(6-4-11)22(16,20)21;;/h3-6H,7-10,15H2,1-2H3,(H2,16,20,21);2*1H
InChIKeyWITSHHBPXFYQRG-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.56
Rot. Bonds3

About 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (PubChem CID 119843903) has the molecular formula C14H24Cl2N4O3S and a molecular weight of 399.34 g/mol. Its IUPAC name is 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
PubChem CID119843903
Molecular FormulaC14H24Cl2N4O3S
Molecular Weight399.34 g/mol
Exact Mass398.09
IUPAC Name4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-14(2,15)13(19)18-9-7-17(8-10-18)11-3-5-12(6-4-11)22(16,20)21;;/h3-6H,7-10,15H2,1-2H3,(H2,16,20,21);2*1H
InChIKeyWITSHHBPXFYQRG-UHFFFAOYSA-N
XLogP0.56
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 61265070
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843917
4-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 120641426
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
N-methyl-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzenesulfonamide
CID 59466466
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
CID 108508662
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771
4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843950
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (CID 119843903) is 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is CC(C)(N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is WITSHHBPXFYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.2ClH/c1-14(2,15)13(19)18-9-7-17(8-10-18)11-3-5-12(6-4-11)22(16,20)21;;/h3-6H,7-10,15H2,1-2H3,(H2,16,20,21);2*1H.
What are the key properties of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 399.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119843903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).