1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene

C16H16Cl2O2S — CID 19736981

IUPAC1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
SMILESCc1cc(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)cc1Cl
InChIInChI=1S/C16H16Cl2O2S/c1-9-7-15(11(3)5-13(9)17)21(19,20)16-8-10(2)14(18)6-12(16)4/h5-8H,1-4H3
InChIKeyWESJZFLINNRYDJ-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.06
Rot. Bonds2

About 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene

1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene (PubChem CID 19736981) has the molecular formula C16H16Cl2O2S and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
PubChem CID19736981
Molecular FormulaC16H16Cl2O2S
Molecular Weight343.28 g/mol
Exact Mass342.02
IUPAC Name1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
SMILESCc1cc(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)cc1Cl
InChIInChI=1S/C16H16Cl2O2S/c1-9-7-15(11(3)5-13(9)17)21(19,20)16-8-10(2)14(18)6-12(16)4/h5-8H,1-4H3
InChIKeyWESJZFLINNRYDJ-UHFFFAOYSA-N
XLogP5.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene?
The IUPAC name of 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene (CID 19736981) is 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene?
The canonical SMILES for 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene is Cc1cc(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)cc1Cl.
What is the InChIKey of 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene?
The InChIKey is WESJZFLINNRYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2S/c1-9-7-15(11(3)5-13(9)17)21(19,20)16-8-10(2)14(18)6-12(16)4/h5-8H,1-4H3.
What are the key properties of 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene?
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene has a molecular weight of 343.28 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene is sourced from PubChem (CID 19736981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).