1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene

C18H20Cl2O2S3 — CID 2806248

IUPAC1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene
SMILESO=S(=O)(CCSCc1ccc(Cl)cc1)CCSCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2O2S3/c19-17-5-1-15(2-6-17)13-23-9-11-25(21,22)12-10-24-14-16-3-7-18(20)8-4-16/h1-8H,9-14H2
InChIKeyCVLNQNUOLGEAHJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.57
Rot. Bonds10

About 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene

1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene (PubChem CID 2806248) has the molecular formula C18H20Cl2O2S3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene
PubChem CID2806248
Molecular FormulaC18H20Cl2O2S3
Molecular Weight435.46 g/mol
Exact Mass434.00
IUPAC Name1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene
SMILESO=S(=O)(CCSCc1ccc(Cl)cc1)CCSCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2O2S3/c19-17-5-1-15(2-6-17)13-23-9-11-25(21,22)12-10-24-14-16-3-7-18(20)8-4-16/h1-8H,9-14H2
InChIKeyCVLNQNUOLGEAHJ-UHFFFAOYSA-N
XLogP5.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene?
The IUPAC name of 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene (CID 2806248) is 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene is O=S(=O)(CCSCc1ccc(Cl)cc1)CCSCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene?
The InChIKey is CVLNQNUOLGEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O2S3/c19-17-5-1-15(2-6-17)13-23-9-11-25(21,22)12-10-24-14-16-3-7-18(20)8-4-16/h1-8H,9-14H2.
What are the key properties of 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene?
1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene has a molecular weight of 435.46 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene is sourced from PubChem (CID 2806248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).