1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine

C15H20N4O2S — CID 71788608

IUPAC1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H20N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h1-7,14H,8-13H2
InChIKeyAJJZOGXHEJGSAF-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.89
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine

1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 71788608) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID71788608
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H20N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h1-7,14H,8-13H2
InChIKeyAJJZOGXHEJGSAF-UHFFFAOYSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorobenzenesulfonyl)-4-(1H-imidazole-1-carbonyl)piperazine
CID 4784722
1-(p-Toluenesulfonyl)imidazole
CID 75219
N-(3-Imidazol-1-yl-propyl)-4-methylsulfanyl-benzenesulfonamide
CID 6459195
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 4663825
1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CID 4784720
N-isopropyl-4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
CID 6603520
1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(4-Fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
3-(Imidazol-1-ylmethyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
CID 127049169
4-[3-(Imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 127049828

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine (CID 71788608) is 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine is O=S(=O)(c1ccccc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is AJJZOGXHEJGSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-22(21,15-4-2-1-3-5-15)19-12-10-17(11-13-19)8-9-18-7-6-16-14-18/h1-7,14H,8-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine?
1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 320.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 71788608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).