N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide

C13H22N4O2S — CID 83025390

IUPACN-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-14-20(18,19)13-7-5-4-6-12(13)15-17-10-8-16(2)9-11-17/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyFEGKAOGJRMRMQX-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.56
Rot. Bonds5

About N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide

N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide (PubChem CID 83025390) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
PubChem CID83025390
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-14-20(18,19)13-7-5-4-6-12(13)15-17-10-8-16(2)9-11-17/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyFEGKAOGJRMRMQX-UHFFFAOYSA-N
XLogP0.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide (CID 83025390) is N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NN1CCN(C)CC1.
What is the InChIKey of N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The InChIKey is FEGKAOGJRMRMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-14-20(18,19)13-7-5-4-6-12(13)15-17-10-8-16(2)9-11-17/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 83025390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).