[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone

C25H24N2O4S — CID 59007124

IUPAC[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-19-18-26(25(29)22-10-6-3-7-11-22)16-17-27(19)32(30,31)23-14-12-21(13-15-23)24(28)20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3
InChIKeyAIPSXHZTWHNTRZ-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.45
Rot. Bonds5

About [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone

[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone (PubChem CID 59007124) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
PubChem CID59007124
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-19-18-26(25(29)22-10-6-3-7-11-22)16-17-27(19)32(30,31)23-14-12-21(13-15-23)24(28)20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3
InChIKeyAIPSXHZTWHNTRZ-UHFFFAOYSA-N
XLogP3.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 75251241
[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
CID 24992533
4-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]benzoic acid
CID 120552705
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
CID 46662394
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone?
The IUPAC name of [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone (CID 59007124) is [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone?
The canonical SMILES for [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone?
The InChIKey is AIPSXHZTWHNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-19-18-26(25(29)22-10-6-3-7-11-22)16-17-27(19)32(30,31)23-14-12-21(13-15-23)24(28)20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3.
What are the key properties of [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone?
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone has a molecular weight of 448.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone is sourced from PubChem (CID 59007124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).