1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene

C26H20Cl2O2S — CID 141025901

IUPAC1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2O2S/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-31(29,30)18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h1-16H,17-18H2
InChIKeyYZUNLXBOIQIHRY-UHFFFAOYSA-N
MW467.42 g/mol
LogP7.44
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene

1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene (PubChem CID 141025901) has the molecular formula C26H20Cl2O2S and a molecular weight of 467.42 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene
PubChem CID141025901
Molecular FormulaC26H20Cl2O2S
Molecular Weight467.42 g/mol
Exact Mass466.06
IUPAC Name1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2O2S/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-31(29,30)18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h1-16H,17-18H2
InChIKeyYZUNLXBOIQIHRY-UHFFFAOYSA-N
XLogP7.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene 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

(4-chlorophenyl)methanesulfonic acid
CID 13354140
1-(3-bromopropylsulfonylmethyl)-4-chlorobenzene
CID 69170163
sodium (4-chlorophenyl)methanesulfonate
CID 23691083
3-[(4-chlorophenyl)methylsulfonyl]-2-methylpropan-1-ol
CID 111469865
3-bromo-2-[(4-chlorophenyl)methylsulfonylmethyl]aniline
CID 114790690
2-[(4-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 94804869
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
CID 75395480
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylethanamine
CID 114791989
azulen-6-ylmethanesulfonic acid
CID 150416907
N-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]-2-methylpropan-2-amine
CID 114792066
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene (CID 141025901) is 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene is O=S(=O)(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene?
The InChIKey is YZUNLXBOIQIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O2S/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-31(29,30)18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h1-16H,17-18H2.
What are the key properties of 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene?
1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene has a molecular weight of 467.42 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)phenyl]methylsulfonylmethyl]benzene is sourced from PubChem (CID 141025901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).