1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine

C19H22Cl2N2O4S2 — CID 24734031

IUPAC1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-28(24,25)16-5-6-18(17(21)12-16)23-9-7-22(8-10-23)13-14-3-4-15(20)11-19(14)29(2,26)27/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLANHJWMSLXFPFE-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine

1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine (PubChem CID 24734031) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine
PubChem CID24734031
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC Name1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine
SMILESCS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-28(24,25)16-5-6-18(17(21)12-16)23-9-7-22(8-10-23)13-14-3-4-15(20)11-19(14)29(2,26)27/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLANHJWMSLXFPFE-UHFFFAOYSA-N
XLogP3.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloro-4-methylsulfonylphenyl)piperazin-4-ium
CID 6930959
5-chloro-2-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 167886526
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
1-benzyl-N-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-cyclopropylpiperidin-4-amine
CID 24734028
5-methylsulfonyl-2-(4-propylpiperazin-1-yl)aniline
CID 43447932
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993
1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine (CID 24734031) is 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine is CS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)cc3S(C)(=O)=O)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine?
The InChIKey is LANHJWMSLXFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-28(24,25)16-5-6-18(17(21)12-16)23-9-7-22(8-10-23)13-14-3-4-15(20)11-19(14)29(2,26)27/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine?
1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine has a molecular weight of 477.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylsulfonylphenyl)-4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazine is sourced from PubChem (CID 24734031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).