4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene

C14H12Cl2O2S — CID 174908025

IUPAC4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Cl)ccc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2O2S/c1-19(17,18)14-9-13(16)6-5-11(14)7-10-3-2-4-12(15)8-10/h2-6,8-9H,7H2,1H3
InChIKeyBWKIHYUCSJQGNW-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.99
Rot. Bonds3

About 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene

4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene (PubChem CID 174908025) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene.

Molecular Properties

Compound Name4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
PubChem CID174908025
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Cl)ccc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2O2S/c1-19(17,18)14-9-13(16)6-5-11(14)7-10-3-2-4-12(15)8-10/h2-6,8-9H,7H2,1H3
InChIKeyBWKIHYUCSJQGNW-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene?
The IUPAC name of 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene (CID 174908025) is 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene.
What is the SMILES notation for 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene?
The canonical SMILES for 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene is CS(=O)(=O)c1cc(Cl)ccc1Cc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene?
The InChIKey is BWKIHYUCSJQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c1-19(17,18)14-9-13(16)6-5-11(14)7-10-3-2-4-12(15)8-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene?
4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene has a molecular weight of 315.22 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene is sourced from PubChem (CID 174908025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).