(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

C20H26ClN3O3S — CID 119686746

IUPAC(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-2-4-16-7-9-19(10-8-16)27(25,26)23-13-11-22(12-14-23)20(24)17-5-3-6-18(21)15-17;/h3,5-10,15H,2,4,11-14,21H2,1H3;1H
InChIKeyRGKVPIZJCASRSH-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.79
Rot. Bonds5

About (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 119686746) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
PubChem CID119686746
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-2-4-16-7-9-19(10-8-16)27(25,26)23-13-11-22(12-14-23)20(24)17-5-3-6-18(21)15-17;/h3,5-10,15H,2,4,11-14,21H2,1H3;1H
InChIKeyRGKVPIZJCASRSH-UHFFFAOYSA-N
XLogP2.79
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
acetic acid;4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162315952
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765367
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (CID 119686746) is (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(N)c3)CC2)cc1.Cl.
What is the InChIKey of (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is RGKVPIZJCASRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-2-4-16-7-9-19(10-8-16)27(25,26)23-13-11-22(12-14-23)20(24)17-5-3-6-18(21)15-17;/h3,5-10,15H,2,4,11-14,21H2,1H3;1H.
What are the key properties of (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119686746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).