4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene

C14H12Cl2OS — CID 14816291

IUPAC4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene
SMILESCc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H12Cl2OS/c1-9-7-11(15)3-5-13(9)18(17)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyPAXJMSRXJUKAKB-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene

4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene (PubChem CID 14816291) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene
PubChem CID14816291
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene
SMILESCc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C14H12Cl2OS/c1-9-7-11(15)3-5-13(9)18(17)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3
InChIKeyPAXJMSRXJUKAKB-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorbenside
CID 7639
1,1'-Sulfinylbis(4-chlorobenzene)
CID 18329
1-Chloro-4-(phenylsulfinyl)benzene
CID 120885
5-Chloro-3-methyl-1H-1-benzothiophene-1,1-dione
CID 736795
p-Chlorobenzyl-p-chlorophenyl sulfone
CID 96162
1-(Benzenesulfinylmethyl)-4-chlorobenzene
CID 228204
1-[(4-Chlorophenyl)methylsulfinyl]-4-methylbenzene
CID 44522627
4-Chloro-2-methylbenzene-1-sulfonyl chloride
CID 41748
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
CID 13433971
2-Chlorothioxanthene
CID 244109
9H-Thioxanthene, 2-chloro-, 10-oxide
CID 12215675
Benzyl 4-chlorophenyl sulfide
CID 4589377

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene?
The IUPAC name of 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene (CID 14816291) is 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene is Cc1cc(Cl)ccc1S(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene?
The InChIKey is PAXJMSRXJUKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c1-9-7-11(15)3-5-13(9)18(17)14-6-4-12(16)8-10(14)2/h3-8H,1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene?
4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene has a molecular weight of 299.22 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-2-methylphenyl)sulfinyl-2-methylbenzene is sourced from PubChem (CID 14816291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).