1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene

C20H26O4S — CID 22131571

IUPAC1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
SMILESCC(C)COc1ccc(S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C20H26O4S/c1-15(2)13-23-17-5-9-19(10-6-17)25(21,22)20-11-7-18(8-12-20)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyRHTATMUUQJEOGL-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.59
Rot. Bonds8

About 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene

1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene (PubChem CID 22131571) has the molecular formula C20H26O4S and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
PubChem CID22131571
Molecular FormulaC20H26O4S
Molecular Weight362.49 g/mol
Exact Mass362.16
IUPAC Name1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
SMILESCC(C)COc1ccc(S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C20H26O4S/c1-15(2)13-23-17-5-9-19(10-6-17)25(21,22)20-11-7-18(8-12-20)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyRHTATMUUQJEOGL-UHFFFAOYSA-N
XLogP4.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2-sulfanylpropoxy)phenyl]sulfonylphenoxy]propane-2-thiol
CID 91501978
4-(2-methylpropoxy)-N-(oxomethylidene)benzenesulfonamide
CID 114770545
3-[4-(4-chlorophenyl)sulfonylphenoxy]-2-methylpropanoic acid
CID 54514935
4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944142
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64541271
(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene?
The IUPAC name of 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene (CID 22131571) is 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene.
What is the SMILES notation for 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene?
The canonical SMILES for 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene is CC(C)COc1ccc(S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene?
The InChIKey is RHTATMUUQJEOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4S/c1-15(2)13-23-17-5-9-19(10-6-17)25(21,22)20-11-7-18(8-12-20)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene?
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene has a molecular weight of 362.49 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene is sourced from PubChem (CID 22131571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).