1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone

C16H20N4O3S2 — CID 4663825

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-18-8-7-17-16(18)24-13-15(21)19-9-11-20(12-10-19)25(22,23)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChIKeyWJWPOZPCGNLRSZ-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.05
Rot. Bonds5

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone (PubChem CID 4663825) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
PubChem CID4663825
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
SMILESCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N4O3S2/c1-18-8-7-17-16(18)24-13-15(21)19-9-11-20(12-10-19)25(22,23)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChIKeyWJWPOZPCGNLRSZ-UHFFFAOYSA-N
XLogP1.05
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CID 4784720
2-(1-Methylimidazol-2-yl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 4881938
N-[3-(1H-imidazol-1-yl)propyl]-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide
CID 16477036
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4879088
N-[2-(1-propylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
CID 47069715
1-(4-(2-(1H-imidazol-1-yl)ethyl)piperazin-1-yl)-2-((4-fluorophenyl)thio)ethanone
CID 71788593
1-(2-(1H-imidazol-1-yl)ethyl)-4-(phenylsulfonyl)piperazine
CID 71788608
2-((4-fluorophenyl)thio)-1-(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)ethanone
CID 71800871
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1-methylimidazole
CID 2821197
1-((2,6-difluorophenyl)sulfonyl)-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine
CID 71800904
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 4827107
1-(4-((1H-imidazol-1-yl)methyl)piperidin-1-yl)-3-(phenylsulfonyl)propan-1-one
CID 52992560

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone (CID 4663825) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone is Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone?
The InChIKey is WJWPOZPCGNLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-18-8-7-17-16(18)24-13-15(21)19-9-11-20(12-10-19)25(22,23)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone has a molecular weight of 380.50 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 4663825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).