1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene

C14H12Cl2OS — CID 14816288

IUPAC1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene
SMILESCc1cc(S(=O)c2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C14H12Cl2OS/c1-9-7-11(3-5-13(9)15)18(17)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyOKAKHFIPJRQYIB-UHFFFAOYSA-N
MW299.22 g/mol
LogP4.78
Rot. Bonds2

About 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene

1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene (PubChem CID 14816288) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene
PubChem CID14816288
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene
SMILESCc1cc(S(=O)c2ccc(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C14H12Cl2OS/c1-9-7-11(3-5-13(9)15)18(17)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyOKAKHFIPJRQYIB-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene?
The IUPAC name of 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene (CID 14816288) is 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene?
The canonical SMILES for 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene is Cc1cc(S(=O)c2ccc(Cl)c(C)c2)ccc1Cl.
What is the InChIKey of 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene?
The InChIKey is OKAKHFIPJRQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c1-9-7-11(3-5-13(9)15)18(17)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3.
What are the key properties of 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene?
1-chloro-4-(4-chloro-3-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 1-chloro-4-(4-chloro-3-methylphenyl)sulfinyl-2-methylbenzene is sourced from PubChem (CID 14816288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).