4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

C19H26Cl2N4O3S — CID 119843909

IUPAC4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H24N4O3S.2ClH/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26;;/h1-9,18H,10-14,20H2,(H2,21,25,26);2*1H
InChIKeyKJXWZWQYZXRURM-UHFFFAOYSA-N
MW461.42 g/mol
LogP1.40
Rot. Bonds5

About 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (PubChem CID 119843909) has the molecular formula C19H26Cl2N4O3S and a molecular weight of 461.42 g/mol. Its IUPAC name is 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
PubChem CID119843909
Molecular FormulaC19H26Cl2N4O3S
Molecular Weight461.42 g/mol
Exact Mass460.11
IUPAC Name4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H24N4O3S.2ClH/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26;;/h1-9,18H,10-14,20H2,(H2,21,25,26);2*1H
InChIKeyKJXWZWQYZXRURM-UHFFFAOYSA-N
XLogP1.40
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
2-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119858335
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (CID 119843909) is 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is KJXWZWQYZXRURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.2ClH/c20-18(14-15-4-2-1-3-5-15)19(24)23-12-10-22(11-13-23)16-6-8-17(9-7-16)27(21,25)26;;/h1-9,18H,10-14,20H2,(H2,21,25,26);2*1H.
What are the key properties of 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 461.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119843909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).