1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene

C24H18O5S2 — CID 13005648

IUPAC1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18O5S2/c25-30(26,21-7-3-1-4-8-21)23-15-11-19(12-16-23)29-20-13-17-24(18-14-20)31(27,28)22-9-5-2-6-10-22/h1-18H
InChIKeyUYEHYBQFYYYRJE-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.14
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene

1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene (PubChem CID 13005648) has the molecular formula C24H18O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene
PubChem CID13005648
Molecular FormulaC24H18O5S2
Molecular Weight450.54 g/mol
Exact Mass450.06
IUPAC Name1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18O5S2/c25-30(26,21-7-3-1-4-8-21)23-15-11-19(12-16-23)29-20-13-17-24(18-14-20)31(27,28)22-9-5-2-6-10-22/h1-18H
InChIKeyUYEHYBQFYYYRJE-UHFFFAOYSA-N
XLogP5.14
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene?
The IUPAC name of 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene (CID 13005648) is 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene is O=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene?
The InChIKey is UYEHYBQFYYYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5S2/c25-30(26,21-7-3-1-4-8-21)23-15-11-19(12-16-23)29-20-13-17-24(18-14-20)31(27,28)22-9-5-2-6-10-22/h1-18H.
What are the key properties of 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene?
1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene has a molecular weight of 450.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenoxy]benzene is sourced from PubChem (CID 13005648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).