5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline

C19H20N4O2S — CID 56893355

IUPAC5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cccc3nccnc23)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,17-6-2-1-3-7-17)23-13-11-22(12-14-23)15-16-5-4-8-18-19(16)21-10-9-20-18/h1-10H,11-15H2
InChIKeyNBHLYOPLWOOESA-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.14
Rot. Bonds4

About 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline

5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline (PubChem CID 56893355) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline
PubChem CID56893355
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cccc3nccnc23)CC1
InChIInChI=1S/C19H20N4O2S/c24-26(25,17-6-2-1-3-7-17)23-13-11-22(12-14-23)15-16-5-4-8-18-19(16)21-10-9-20-18/h1-10H,11-15H2
InChIKeyNBHLYOPLWOOESA-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 31864845
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-pyridin-3-ylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 37067319
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991
1-(4-methylphenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 17366251
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876
5-(azetidin-1-ylsulfonyl)quinoxaline
CID 173009481

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline (CID 56893355) is 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline is O=S(=O)(c1ccccc1)N1CCN(Cc2cccc3nccnc23)CC1.
What is the InChIKey of 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline?
The InChIKey is NBHLYOPLWOOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,17-6-2-1-3-7-17)23-13-11-22(12-14-23)15-16-5-4-8-18-19(16)21-10-9-20-18/h1-10H,11-15H2.
What are the key properties of 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline?
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline has a molecular weight of 368.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 56893355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).