4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride

C13H21ClN4O3S — CID 119277565

IUPAC4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H20N4O3S.ClH/c14-12(10-11-4-2-1-3-5-11)13(18)16-6-8-17(9-7-16)21(15,19)20;/h1-5,12H,6-10,14H2,(H2,15,19,20);1H
InChIKeyVVSXAPROUNJQLB-UHFFFAOYSA-N
MW348.86 g/mol
LogP-0.67
Rot. Bonds4

About 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride

4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride (PubChem CID 119277565) has the molecular formula C13H21ClN4O3S and a molecular weight of 348.86 g/mol. Its IUPAC name is 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
PubChem CID119277565
Molecular FormulaC13H21ClN4O3S
Molecular Weight348.86 g/mol
Exact Mass348.10
IUPAC Name4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H20N4O3S.ClH/c14-12(10-11-4-2-1-3-5-11)13(18)16-6-8-17(9-7-16)21(15,19)20;/h1-5,12H,6-10,14H2,(H2,15,19,20);1H
InChIKeyVVSXAPROUNJQLB-UHFFFAOYSA-N
XLogP-0.67
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
(2S)-2-amino-3-phenyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one
CID 119343280
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 69184928
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
CID 4040755
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride (CID 119277565) is 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride?
The InChIKey is VVSXAPROUNJQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S.ClH/c14-12(10-11-4-2-1-3-5-11)13(18)16-6-8-17(9-7-16)21(15,19)20;/h1-5,12H,6-10,14H2,(H2,15,19,20);1H.
What are the key properties of 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride?
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride has a molecular weight of 348.86 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119277565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).