(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

C19H20Cl2N2O3S — CID 78788996

IUPAC(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)16-5-6-18(21)17(12-16)19(24)23-9-7-22(8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyXIAOUTDPMTUZCF-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.35
Rot. Bonds4

About (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 78788996) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID78788996
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3S/c1-27(25,26)16-5-6-18(21)17(12-16)19(24)23-9-7-22(8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyXIAOUTDPMTUZCF-UHFFFAOYSA-N
XLogP3.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-tert-butyl-3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 31279901
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
(2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226524
(4-benzyl-1,4-diazepan-1-yl)-(2,5-dichlorophenyl)methanone
CID 18157465
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17415647
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642632
4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9181355
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 31619646
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19279143

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 78788996) is (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XIAOUTDPMTUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)16-5-6-18(21)17(12-16)19(24)23-9-7-22(8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 427.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78788996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).