1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene

C15H12Cl2O4S2 — CID 100976770

IUPAC1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O4S2/c1-11-2-4-12(5-3-11)22(18,19)8-9-23(20,21)13-6-7-14(16)15(17)10-13/h2-10H,1H3/b9-8+
InChIKeyLHRKOFXOWNRCPO-CMDGGOBGSA-N
MW391.30 g/mol
LogP4.02
Rot. Bonds4

About 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene

1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene (PubChem CID 100976770) has the molecular formula C15H12Cl2O4S2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
PubChem CID100976770
Molecular FormulaC15H12Cl2O4S2
Molecular Weight391.30 g/mol
Exact Mass389.96
IUPAC Name1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O4S2/c1-11-2-4-12(5-3-11)22(18,19)8-9-23(20,21)13-6-7-14(16)15(17)10-13/h2-10H,1H3/b9-8+
InChIKeyLHRKOFXOWNRCPO-CMDGGOBGSA-N
XLogP4.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene?
The IUPAC name of 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene (CID 100976770) is 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)/C=C/S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene?
The InChIKey is LHRKOFXOWNRCPO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12Cl2O4S2/c1-11-2-4-12(5-3-11)22(18,19)8-9-23(20,21)13-6-7-14(16)15(17)10-13/h2-10H,1H3/b9-8+.
What are the key properties of 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene?
1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene has a molecular weight of 391.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene is sourced from PubChem (CID 100976770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).