[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone

C38H24Cl2O6S — CID 22633805

IUPAC[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C38H24Cl2O6S/c39-27-13-9-25(10-14-27)37(41)33-5-1-3-7-35(33)45-29-17-21-31(22-18-29)47(43,44)32-23-19-30(20-24-32)46-36-8-4-2-6-34(36)38(42)26-11-15-28(40)16-12-26/h1-24H
InChIKeyXVHRWNMQGRLFDR-UHFFFAOYSA-N
MW679.58 g/mol
LogP9.87
Rot. Bonds10

About [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone

[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone (PubChem CID 22633805) has the molecular formula C38H24Cl2O6S and a molecular weight of 679.58 g/mol. Its IUPAC name is [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
PubChem CID22633805
Molecular FormulaC38H24Cl2O6S
Molecular Weight679.58 g/mol
Exact Mass678.07
IUPAC Name[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C38H24Cl2O6S/c39-27-13-9-25(10-14-27)37(41)33-5-1-3-7-35(33)45-29-17-21-31(22-18-29)47(43,44)32-23-19-30(20-24-32)46-36-8-4-2-6-34(36)38(42)26-11-15-28(40)16-12-26/h1-24H
InChIKeyXVHRWNMQGRLFDR-UHFFFAOYSA-N
XLogP9.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.58
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
(4-benzoylphenyl) 4-chlorobenzenesulfonate
CID 7314216
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-chlorobenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58795328
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54158947
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone (CID 22633805) is [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3C(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is XVHRWNMQGRLFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Cl2O6S/c39-27-13-9-25(10-14-27)37(41)33-5-1-3-7-35(33)45-29-17-21-31(22-18-29)47(43,44)32-23-19-30(20-24-32)46-36-8-4-2-6-34(36)38(42)26-11-15-28(40)16-12-26/h1-24H.
What are the key properties of [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone?
[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 679.58 g/mol, XLogP of 9.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 22633805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).