(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one

C19H20Cl2N2O3S — CID 126669797

IUPAC(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1C[C@H](Cc2ccc(Cl)cc2)NC(=O)C1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-12-17(10-13-2-6-15(20)7-3-13)22-19(24)18(23)11-14-4-8-16(21)9-5-14/h2-9,17-18H,10-12H2,1H3,(H,22,24)/t17-,18?/m0/s1
InChIKeyQAABYUDYUCQPIJ-ZENAZSQFSA-N
MW427.35 g/mol
LogP2.91
Rot. Bonds5

About (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one

(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one (PubChem CID 126669797) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
PubChem CID126669797
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1C[C@H](Cc2ccc(Cl)cc2)NC(=O)C1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-12-17(10-13-2-6-15(20)7-3-13)22-19(24)18(23)11-14-4-8-16(21)9-5-14/h2-9,17-18H,10-12H2,1H3,(H,22,24)/t17-,18?/m0/s1
InChIKeyQAABYUDYUCQPIJ-ZENAZSQFSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one 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

(3S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol
CID 146252913
(6S)-6-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-ol
CID 126670138
(2S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylsulfonyl-4-piperidin-4-ylpiperazine
CID 126670146
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
CID 154520608
tert-butyl (2S,5S)-5-[(4-chlorophenyl)methyl]-3-oxo-2-propan-2-ylpiperazine-1-carboxylate
CID 169042722
(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
CID 170200141
(3S)-3-[(4-chlorophenyl)methyl]-1-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 126642033
6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
CID 142132062
(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
CID 155577069
(2S)-1-tert-butyl-2-[(4-chlorophenyl)methyl]azetidin-3-one
CID 156761938
tert-butyl 4-[(2S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-1-yl]piperidine-1-carboxylate
CID 126668105
5-[(4-chlorophenyl)methyl]imidazolidin-4-one
CID 163242437

Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one?
The IUPAC name of (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one (CID 126669797) is (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one is CS(=O)(=O)N1C[C@H](Cc2ccc(Cl)cc2)NC(=O)C1Cc1ccc(Cl)cc1.
What is the InChIKey of (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one?
The InChIKey is QAABYUDYUCQPIJ-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-12-17(10-13-2-6-15(20)7-3-13)22-19(24)18(23)11-14-4-8-16(21)9-5-14/h2-9,17-18H,10-12H2,1H3,(H,22,24)/t17-,18?/m0/s1.
What are the key properties of (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one?
(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one has a molecular weight of 427.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 126669797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).