1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene

C13H10Cl2O4S2 — CID 520080

IUPAC1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene
SMILESO=S(=O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2O4S2/c14-10-1-5-12(6-2-10)20(16,17)9-21(18,19)13-7-3-11(15)4-8-13/h1-8H,9H2
InChIKeyUQLKRAFFXYZVBU-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.20
Rot. Bonds4

About 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene

1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene (PubChem CID 520080) has the molecular formula C13H10Cl2O4S2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene
PubChem CID520080
Molecular FormulaC13H10Cl2O4S2
Molecular Weight365.26 g/mol
Exact Mass363.94
IUPAC Name1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene
SMILESO=S(=O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2O4S2/c14-10-1-5-12(6-2-10)20(16,17)9-21(18,19)13-7-3-11(15)4-8-13/h1-8H,9H2
InChIKeyUQLKRAFFXYZVBU-UHFFFAOYSA-N
XLogP3.20
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene (CID 520080) is 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene is O=S(=O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene?
The InChIKey is UQLKRAFFXYZVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O4S2/c14-10-1-5-12(6-2-10)20(16,17)9-21(18,19)13-7-3-11(15)4-8-13/h1-8H,9H2.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene?
1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene has a molecular weight of 365.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)sulfonylmethylsulfonyl]benzene is sourced from PubChem (CID 520080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).