1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone

C12H15IN2O3S — CID 16645259

IUPAC1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyVZLWPZZAHCGUJN-UHFFFAOYSA-N
MW394.23 g/mol
LogP1.14
Rot. Bonds2

About 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 16645259) has the molecular formula C12H15IN2O3S and a molecular weight of 394.23 g/mol. Its IUPAC name is 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID16645259
Molecular FormulaC12H15IN2O3S
Molecular Weight394.23 g/mol
Exact Mass393.98
IUPAC Name1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C12H15IN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKeyVZLWPZZAHCGUJN-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
1-[4-[4-(bromomethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone
CID 65482014
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
2-[[4-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119172373
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
2-chloroprop-2-enyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 46518940

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone (CID 16645259) is 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is VZLWPZZAHCGUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3.
What are the key properties of 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 394.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 16645259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).