1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene

C14H12Cl2O2S — CID 5122065

IUPAC1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccccc1Cl)Cc1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyBLMRLVYMSLUQRO-UHFFFAOYSA-N
MW315.22 g/mol
LogP4.11
Rot. Bonds4

About 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene

1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene (PubChem CID 5122065) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene
PubChem CID5122065
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccccc1Cl)Cc1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyBLMRLVYMSLUQRO-UHFFFAOYSA-N
XLogP4.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzyl sulfone
CID 69282
Sulfone, p-chlorobenzyl 2-chloroethyl
CID 99233
p-Chlorobenzyl vinyl sulfone
CID 99234
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162
2-Chlorobenzylsulfonamide
CID 146065
2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
1-Chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
CID 11667388
2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile
CID 2778425
(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene
CID 237765
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
CID 13433971

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene?
The IUPAC name of 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene (CID 5122065) is 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene?
The canonical SMILES for 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene is O=S(=O)(Cc1ccccc1Cl)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene?
The InChIKey is BLMRLVYMSLUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene?
1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene has a molecular weight of 315.22 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chlorophenyl)methylsulfonylmethyl]benzene is sourced from PubChem (CID 5122065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).