2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol

C22H22O5S2 — CID 19349285

IUPAC2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H22O5S2/c1-14-5-9-20(16(3)11-14)28(24,25)18-7-8-19(23)22(13-18)29(26,27)21-10-6-15(2)12-17(21)4/h5-13,23H,1-4H3
InChIKeyWBHGYLOWHAOBQM-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.29
Rot. Bonds4

About 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol

2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol (PubChem CID 19349285) has the molecular formula C22H22O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol.

Molecular Properties

Compound Name2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
PubChem CID19349285
Molecular FormulaC22H22O5S2
Molecular Weight430.55 g/mol
Exact Mass430.09
IUPAC Name2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H22O5S2/c1-14-5-9-20(16(3)11-14)28(24,25)18-7-8-19(23)22(13-18)29(26,27)21-10-6-15(2)12-17(21)4/h5-13,23H,1-4H3
InChIKeyWBHGYLOWHAOBQM-UHFFFAOYSA-N
XLogP4.29
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-[2-[2-[2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 139819709
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
4-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)sulfonylphenol
CID 59027550
2-(4-methylphenyl)sulfonylphenol
CID 10879464
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
3-[2-hydroxy-5-[4-hydroxy-3-(3-sulfophenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzenesulfonic acid
CID 89107671
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol?
The IUPAC name of 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol (CID 19349285) is 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol.
What is the SMILES notation for 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol?
The canonical SMILES for 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol is Cc1ccc(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol?
The InChIKey is WBHGYLOWHAOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5S2/c1-14-5-9-20(16(3)11-14)28(24,25)18-7-8-19(23)22(13-18)29(26,27)21-10-6-15(2)12-17(21)4/h5-13,23H,1-4H3.
What are the key properties of 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol?
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol has a molecular weight of 430.55 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol is sourced from PubChem (CID 19349285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).