1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone

C19H24ClN3O4S — CID 112771094

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone
SMILESCc1ccc(C(C)NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H24ClN3O4S/c1-14-3-8-18(27-14)15(2)21-13-19(24)22-9-11-23(12-10-22)28(25,26)17-6-4-16(20)5-7-17/h3-8,15,21H,9-13H2,1-2H3
InChIKeyRNAOSRZOUQEWBH-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone (PubChem CID 112771094) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone
PubChem CID112771094
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone
SMILESCc1ccc(C(C)NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C19H24ClN3O4S/c1-14-3-8-18(27-14)15(2)21-13-19(24)22-9-11-23(12-10-22)28(25,26)17-6-4-16(20)5-7-17/h3-8,15,21H,9-13H2,1-2H3
InChIKeyRNAOSRZOUQEWBH-UHFFFAOYSA-N
XLogP2.43
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39983067
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxy-2-methylanilino)ethanone
CID 56524614
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 18287130
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone (CID 112771094) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone is Cc1ccc(C(C)NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone?
The InChIKey is RNAOSRZOUQEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-14-3-8-18(27-14)15(2)21-13-19(24)22-9-11-23(12-10-22)28(25,26)17-6-4-16(20)5-7-17/h3-8,15,21H,9-13H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone has a molecular weight of 425.94 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone is sourced from PubChem (CID 112771094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).