[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone

C19H20N2O4S — CID 31305883

IUPAC[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4S/c1-26(24,25)17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHHYXHBUFSGAAKB-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.69
Rot. Bonds3

About [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 31305883) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID31305883
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4S/c1-26(24,25)17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyHHYXHBUFSGAAKB-UHFFFAOYSA-N
XLogP1.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
CID 47080407
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(4-hydroxy-4-propylpiperidin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 126805891
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
3-cyclohexyl-1-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 60538780
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
(2-methylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31314923
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 120747550
(3R)-3-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342786

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone (CID 31305883) is [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone is CS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is HHYXHBUFSGAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-26(24,25)17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 372.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 31305883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).