2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone

C18H19ClN2O5S — CID 86944350

IUPAC2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H19ClN2O5S/c1-27(24,25)17-7-6-15(26-17)18(23)21-10-8-20(9-11-21)16(22)12-13-2-4-14(19)5-3-13/h2-7H,8-12H2,1H3
InChIKeyCNOBQJHEAXFOIK-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 86944350) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID86944350
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H19ClN2O5S/c1-27(24,25)17-7-6-15(26-17)18(23)21-10-8-20(9-11-21)16(22)12-13-2-4-14(19)5-3-13/h2-7H,8-12H2,1H3
InChIKeyCNOBQJHEAXFOIK-UHFFFAOYSA-N
XLogP1.86
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
2-(4-chlorophenyl)-1-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethanone
CID 86996657
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 78882209
2-(4-chlorophenyl)-1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110359107
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone (CID 86944350) is 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone is CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CNOBQJHEAXFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-27(24,25)17-7-6-15(26-17)18(23)21-10-8-20(9-11-21)16(22)12-13-2-4-14(19)5-3-13/h2-7H,8-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 410.88 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86944350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).