1-(benzylsulfonylmethyl)-4-chlorobenzene

C14H13ClO2S — CID 71355748

IUPAC1-(benzylsulfonylmethyl)-4-chlorobenzene
SMILESO=S(=O)(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2S/c15-14-8-6-13(7-9-14)11-18(16,17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXVFJDQEZZETIG-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.45
Rot. Bonds4

About 1-(benzylsulfonylmethyl)-4-chlorobenzene

1-(benzylsulfonylmethyl)-4-chlorobenzene (PubChem CID 71355748) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(benzylsulfonylmethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(benzylsulfonylmethyl)-4-chlorobenzene
PubChem CID71355748
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name1-(benzylsulfonylmethyl)-4-chlorobenzene
SMILESO=S(=O)(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2S/c15-14-8-6-13(7-9-14)11-18(16,17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXVFJDQEZZETIG-UHFFFAOYSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzyl sulfone
CID 69282
1-Chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9927594
Sulfone, p-chlorobenzyl 2-chloroethyl
CID 99233
p-Chlorobenzyl vinyl sulfone
CID 99234
(E)-2-(4-chlorophenyl)ethene-1-sulfonyl fluoride
CID 121553280
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162
2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
1-[(4-Chlorophenyl)methylsulfanylsulfonyl]-4-methylbenzene
CID 21555239
1-[(4-Chlorophenyl)methylsulfinyl]-4-methylbenzene
CID 44522627
2-(4-Chlorophenyl)-1,3-dithiane
CID 25199
(4-Chlorophenyl)methanesulfonyl chloride
CID 227304

Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfonylmethyl)-4-chlorobenzene?
The IUPAC name of 1-(benzylsulfonylmethyl)-4-chlorobenzene (CID 71355748) is 1-(benzylsulfonylmethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(benzylsulfonylmethyl)-4-chlorobenzene?
The canonical SMILES for 1-(benzylsulfonylmethyl)-4-chlorobenzene is O=S(=O)(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(benzylsulfonylmethyl)-4-chlorobenzene?
The InChIKey is ZXVFJDQEZZETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c15-14-8-6-13(7-9-14)11-18(16,17)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(benzylsulfonylmethyl)-4-chlorobenzene?
1-(benzylsulfonylmethyl)-4-chlorobenzene has a molecular weight of 280.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfonylmethyl)-4-chlorobenzene is sourced from PubChem (CID 71355748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).