2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone

C13H19N3O3S — CID 61367606

IUPAC2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-6-8-16(9-7-15)13(17)10-20(18,19)12-5-3-2-4-11(12)14/h2-5H,6-10,14H2,1H3
InChIKeyLEEYJLCTDWSVCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.18
Rot. Bonds3

About 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone

2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 61367606) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID61367606
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-6-8-16(9-7-15)13(17)10-20(18,19)12-5-3-2-4-11(12)14/h2-5H,6-10,14H2,1H3
InChIKeyLEEYJLCTDWSVCB-UHFFFAOYSA-N
XLogP-0.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone (CID 61367606) is 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CS(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LEEYJLCTDWSVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15-6-8-16(9-7-15)13(17)10-20(18,19)12-5-3-2-4-11(12)14/h2-5H,6-10,14H2,1H3.
What are the key properties of 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 297.38 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61367606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).