5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol

C22H22O5S2 — CID 139696742

IUPAC5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol
SMILESCCc1cc(O)c(S(=O)(=O)c2ccccc2C)cc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C22H22O5S2/c1-4-17-13-18(23)22(29(26,27)20-12-8-6-10-16(20)3)14-21(17)28(24,25)19-11-7-5-9-15(19)2/h5-14,23H,4H2,1-3H3
InChIKeyFVZCADCETSHPRT-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.24
Rot. Bonds5

About 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol

5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol (PubChem CID 139696742) has the molecular formula C22H22O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol.

Molecular Properties

Compound Name5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol
PubChem CID139696742
Molecular FormulaC22H22O5S2
Molecular Weight430.55 g/mol
Exact Mass430.09
IUPAC Name5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol
SMILESCCc1cc(O)c(S(=O)(=O)c2ccccc2C)cc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C22H22O5S2/c1-4-17-13-18(23)22(29(26,27)20-12-8-6-10-16(20)3)14-21(17)28(24,25)19-11-7-5-9-15(19)2/h5-14,23H,4H2,1-3H3
InChIKeyFVZCADCETSHPRT-UHFFFAOYSA-N
XLogP4.24
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
CID 139696741
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
2-methylbenzenesulfonic acid
CID 6925
2-methylbenzenesulfonamide
CID 6924
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
benzene-1,2,3-triol;tris(2-methylbenzenesulfonic acid)
CID 175309354
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonic acid;nickel
CID 174250296
ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol?
The IUPAC name of 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol (CID 139696742) is 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol.
What is the SMILES notation for 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol?
The canonical SMILES for 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol is CCc1cc(O)c(S(=O)(=O)c2ccccc2C)cc1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol?
The InChIKey is FVZCADCETSHPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5S2/c1-4-17-13-18(23)22(29(26,27)20-12-8-6-10-16(20)3)14-21(17)28(24,25)19-11-7-5-9-15(19)2/h5-14,23H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol?
5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol has a molecular weight of 430.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol is sourced from PubChem (CID 139696742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).