1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C19H21ClN2O4S2 — CID 55530053

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O4S2/c1-16-7-8-19(18(20)15-16)28(25,26)22-12-10-21(11-13-22)27(23,24)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b14-9+
InChIKeySDIJPFCZABKNBS-NTEUORMPSA-N
MW440.97 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 55530053) has the molecular formula C19H21ClN2O4S2 and a molecular weight of 440.97 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID55530053
Molecular FormulaC19H21ClN2O4S2
Molecular Weight440.97 g/mol
Exact Mass440.06
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O4S2/c1-16-7-8-19(18(20)15-16)28(25,26)22-12-10-21(11-13-22)27(23,24)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b14-9+
InChIKeySDIJPFCZABKNBS-NTEUORMPSA-N
XLogP2.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine 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

1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
2-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
CID 30921011
N-(2,5-dimethylphenyl)-4-(2-phenylethenylsulfonyl)piperazine-1-carbothioamide
CID 3345657
2-(2,4-dimethylphenyl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 75460100
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
CID 73419376
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 55530053) is 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is SDIJPFCZABKNBS-NTEUORMPSA-N. The full InChI is InChI=1S/C19H21ClN2O4S2/c1-16-7-8-19(18(20)15-16)28(25,26)22-12-10-21(11-13-22)27(23,24)14-9-17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3/b14-9+.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 440.97 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 55530053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).