[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate

C24H24O4S — CID 132604707

IUPAC[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate
SMILESCC(=O)OC(CCc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O4S/c1-19(25)28-23(18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)29(26,27)22-15-9-4-10-16-22/h2-16,23-24H,17-18H2,1H3
InChIKeyCYDOZUGTSUYTES-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.77
Rot. Bonds8

About [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate

[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate (PubChem CID 132604707) has the molecular formula C24H24O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate
PubChem CID132604707
Molecular FormulaC24H24O4S
Molecular Weight408.52 g/mol
Exact Mass408.14
IUPAC Name[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate
SMILESCC(=O)OC(CCc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O4S/c1-19(25)28-23(18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)29(26,27)22-15-9-4-10-16-22/h2-16,23-24H,17-18H2,1H3
InChIKeyCYDOZUGTSUYTES-UHFFFAOYSA-N
XLogP4.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzenesulfonyl)-3-phenylpropyl]benzene
CID 174743657
ethyl 2-(benzenesulfonyl)-4-phenylbutanoate
CID 102448987
[4-(benzenesulfonyl)-3-methyl-1-phenylheptan-3-yl] acetate
CID 132604705
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
5-phenylpent-1-yn-3-yl acetate
CID 10035749
methyl (3R)-2-(benzenesulfonyl)-3-(2-phenylethyl)pent-4-enoate
CID 102238798
(4-oxo-1-phenylhexan-3-yl) acetate
CID 71337403
(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970
2-(benzenesulfonyl)-10-phenyldecanoic acid
CID 23047834
(1-acetamido-1,5-diphenylpentan-3-yl) acetate
CID 101129152
1-(benzenesulfonyl)-3-phenylpropan-1-amine;hydrobromide
CID 19070477

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate?
The IUPAC name of [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate (CID 132604707) is [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate.
What is the SMILES notation for [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate?
The canonical SMILES for [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate is CC(=O)OC(CCc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate?
The InChIKey is CYDOZUGTSUYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4S/c1-19(25)28-23(18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)29(26,27)22-15-9-4-10-16-22/h2-16,23-24H,17-18H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate?
[1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate has a molecular weight of 408.52 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-1,4-diphenylbutan-2-yl] acetate is sourced from PubChem (CID 132604707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).