2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene

C21H20O5S2 — CID 19349290

IUPAC2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20O5S2/c1-16(2)26-20-14-13-19(27(22,23)17-9-5-3-6-10-17)15-21(20)28(24,25)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyWDOAPKKBZNFHOG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.14
Rot. Bonds6

About 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene

2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene (PubChem CID 19349290) has the molecular formula C21H20O5S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
PubChem CID19349290
Molecular FormulaC21H20O5S2
Molecular Weight416.52 g/mol
Exact Mass416.08
IUPAC Name2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20O5S2/c1-16(2)26-20-14-13-19(27(22,23)17-9-5-3-6-10-17)15-21(20)28(24,25)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyWDOAPKKBZNFHOG-UHFFFAOYSA-N
XLogP4.14
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70369
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CID 10267279
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol
CID 95071
3-(4-Phenoxy-benzenesulfonyl)-cyclohexanethiol
CID 44294677
Bps-mpe4
CID 14178379
1-Ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benzene
CID 647878
2-[[4-[4-(Oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
CID 2831290
4-(4-Phenoxyphenylsulfonyl)butane-1,2-dithiol
CID 10043732
4-(4-(Thiiran-2-ylmethylsulfonyl)phenoxy)phenyl methanesulfonate
CID 15941677
4-(4-(Thiiranylmethylsulfonyl)phenoxy)-phenylethanesulfonate
CID 15941679

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene?
The IUPAC name of 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene (CID 19349290) is 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene.
What is the SMILES notation for 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene?
The canonical SMILES for 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene is CC(C)Oc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene?
The InChIKey is WDOAPKKBZNFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5S2/c1-16(2)26-20-14-13-19(27(22,23)17-9-5-3-6-10-17)15-21(20)28(24,25)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene?
2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene has a molecular weight of 416.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene is sourced from PubChem (CID 19349290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).