1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine

C20H26ClN3O2S — CID 25022620

IUPAC1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3
InChIKeyDGAWUPZWGOHIQW-UHFFFAOYSA-N
MW407.97 g/mol
LogP2.91
Rot. Bonds6

About 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine

1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 25022620) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID25022620
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3
InChIKeyDGAWUPZWGOHIQW-UHFFFAOYSA-N
XLogP2.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine (CID 25022620) is 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is DGAWUPZWGOHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 407.97 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 25022620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).