4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide

C13H22N4O2S — CID 82899584

IUPAC4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide
SMILESCCN1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1C
InChIInChI=1S/C13H22N4O2S/c1-3-16-6-7-17(9-10(16)2)13-8-11(20(15,18)19)4-5-12(13)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3,(H2,15,18,19)
InChIKeyIEJPOTMQVRVVRB-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide

4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 82899584) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID82899584
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide
SMILESCCN1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1C
InChIInChI=1S/C13H22N4O2S/c1-3-16-6-7-17(9-10(16)2)13-8-11(20(15,18)19)4-5-12(13)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3,(H2,15,18,19)
InChIKeyIEJPOTMQVRVVRB-UHFFFAOYSA-N
XLogP0.45
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide (CID 82899584) is 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide is CCN1CCN(c2cc(S(N)(=O)=O)ccc2N)CC1C.
What is the InChIKey of 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is IEJPOTMQVRVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16-6-7-17(9-10(16)2)13-8-11(20(15,18)19)4-5-12(13)14/h4-5,8,10H,3,6-7,9,14H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide?
4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 82899584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).