2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene

C30H21ClO5S2 — CID 54558002

IUPAC2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H21ClO5S2/c31-23-14-18-27(19-15-23)38(34,35)30-28(22-8-3-1-4-9-22)12-7-13-29(30)37(32,33)26-20-16-25(17-21-26)36-24-10-5-2-6-11-24/h1-21H
InChIKeyZONHFMZNZKEVPP-UHFFFAOYSA-N
MW561.08 g/mol
LogP7.46
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene

2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene (PubChem CID 54558002) has the molecular formula C30H21ClO5S2 and a molecular weight of 561.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene
PubChem CID54558002
Molecular FormulaC30H21ClO5S2
Molecular Weight561.08 g/mol
Exact Mass560.05
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H21ClO5S2/c31-23-14-18-27(19-15-23)38(34,35)30-28(22-8-3-1-4-9-22)12-7-13-29(30)37(32,33)26-20-16-25(17-21-26)36-24-10-5-2-6-11-24/h1-21H
InChIKeyZONHFMZNZKEVPP-UHFFFAOYSA-N
XLogP7.46
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.08
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene (CID 54558002) is 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene is O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene?
The InChIKey is ZONHFMZNZKEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClO5S2/c31-23-14-18-27(19-15-23)38(34,35)30-28(22-8-3-1-4-9-22)12-7-13-29(30)37(32,33)26-20-16-25(17-21-26)36-24-10-5-2-6-11-24/h1-21H.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene?
2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene has a molecular weight of 561.08 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene is sourced from PubChem (CID 54558002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).