1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone

C16H20N4O3S — CID 20958609

IUPAC1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13(21)14-3-5-15(6-4-14)19-7-9-20(10-8-19)24(22,23)16-11-18(2)12-17-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeySXNBDJQPLBYANB-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone

1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone (PubChem CID 20958609) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone
PubChem CID20958609
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13(21)14-3-5-15(6-4-14)19-7-9-20(10-8-19)24(22,23)16-11-18(2)12-17-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeySXNBDJQPLBYANB-UHFFFAOYSA-N
XLogP1.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(1H-Imidazol-1-yl)phenyl)ethanone
CID 82316
N-(4-(2-(1H-Imidazol-1-yl)acetyl)phenyl)methanesulfonamide
CID 3059770
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169
[4-(1H-imidazol-1-yl)phenyl](phenyl)methanone
CID 1222494
(4-Benzylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;methanesulfonic acid
CID 19778063
1-(4-(2-methyl-1H-imidazol-1-yl)phenyl)ethan-1-one
CID 28414435
1-[4-[4-[5-(4-Methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]phenyl]ethanone
CID 4968326
4-(Allyl-methanesulfonyl-amino)-N-(3-imidazol-1-yl-propyl)-benzamide
CID 6458748
N-(diaminomethylidene)-4-imidazol-1-yl-3-methylsulfonylbenzamide
CID 10804644
N-methyl-1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 16028043
N-{[4-(Dimethylamino)phenyl]methyl}-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 16028052
1-[4-(4-Acetylphenyl)piperazin-1-YL]-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-YL]ethan-1-one
CID 20949520

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone (CID 20958609) is 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone?
The InChIKey is SXNBDJQPLBYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-13(21)14-3-5-15(6-4-14)19-7-9-20(10-8-19)24(22,23)16-11-18(2)12-17-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone?
1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone has a molecular weight of 348.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 20958609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).