N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

C20H24N5O2S+ — CID 7392711

IUPACN-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC[NH+]1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O2S/c1-2-24-12-14-25(15-13-24)20-19(21-17-10-6-7-11-18(17)22-20)23-28(26,27)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,21,23)/p+1
InChIKeyJJAFPWCQVSBYOA-UHFFFAOYSA-O
MW398.51 g/mol
LogP1.16
Rot. Bonds5

About N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 7392711) has the molecular formula C20H24N5O2S+ and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID7392711
Molecular FormulaC20H24N5O2S+
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC NameN-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC[NH+]1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O2S/c1-2-24-12-14-25(15-13-24)20-19(21-17-10-6-7-11-18(17)22-20)23-28(26,27)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,21,23)/p+1
InChIKeyJJAFPWCQVSBYOA-UHFFFAOYSA-O
XLogP1.16
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline
CID 3478937
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 133277971
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3700003
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
CID 163248582

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 7392711) is N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide is CC[NH+]1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is JJAFPWCQVSBYOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N5O2S/c1-2-24-12-14-25(15-13-24)20-19(21-17-10-6-7-11-18(17)22-20)23-28(26,27)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,21,23)/p+1.
What are the key properties of N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 7392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).