1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene

C28H26O4S — CID 139568524

IUPAC1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O4S/c1-21(2)20-22-8-10-24(11-9-22)32-26-14-18-28(19-15-26)33(29,30)27-16-12-25(13-17-27)31-23-6-4-3-5-7-23/h3-19,21H,20H2,1-2H3
InChIKeyHVWXCBCNMUXMJS-UHFFFAOYSA-N
MW458.58 g/mol
LogP7.30
Rot. Bonds8

About 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene

1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene (PubChem CID 139568524) has the molecular formula C28H26O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
PubChem CID139568524
Molecular FormulaC28H26O4S
Molecular Weight458.58 g/mol
Exact Mass458.16
IUPAC Name1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O4S/c1-21(2)20-22-8-10-24(11-9-22)32-26-14-18-28(19-15-26)33(29,30)27-16-12-25(13-17-27)31-23-6-4-3-5-7-23/h3-19,21H,20H2,1-2H3
InChIKeyHVWXCBCNMUXMJS-UHFFFAOYSA-N
XLogP7.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
CID 90895465
1-(benzenesulfonyl)-4-(2,3-dimethylbutyl)benzene
CID 154955361
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
4-(4-phenoxyphenyl)sulfonylbutane-2-thiol
CID 54239050
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
CID 126736482

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene (CID 139568524) is 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene is CC(C)Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene?
The InChIKey is HVWXCBCNMUXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4S/c1-21(2)20-22-8-10-24(11-9-22)32-26-14-18-28(19-15-26)33(29,30)27-16-12-25(13-17-27)31-23-6-4-3-5-7-23/h3-19,21H,20H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene?
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene has a molecular weight of 458.58 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 139568524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).