2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol

C23H24O5S2 — CID 139696741

IUPAC2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
SMILESCCc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(CC)cc3)c(O)cc2C)cc1
InChIInChI=1S/C23H24O5S2/c1-4-17-6-10-19(11-7-17)29(25,26)22-15-23(21(24)14-16(22)3)30(27,28)20-12-8-18(5-2)9-13-20/h6-15,24H,4-5H2,1-3H3
InChIKeyKUVFAOLWPSDFKA-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.49
Rot. Bonds6

About 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol

2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol (PubChem CID 139696741) has the molecular formula C23H24O5S2 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol.

Molecular Properties

Compound Name2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
PubChem CID139696741
Molecular FormulaC23H24O5S2
Molecular Weight444.57 g/mol
Exact Mass444.11
IUPAC Name2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
SMILESCCc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(CC)cc3)c(O)cc2C)cc1
InChIInChI=1S/C23H24O5S2/c1-4-17-6-10-19(11-7-17)29(25,26)22-15-23(21(24)14-16(22)3)30(27,28)20-12-8-18(5-2)9-13-20/h6-15,24H,4-5H2,1-3H3
InChIKeyKUVFAOLWPSDFKA-UHFFFAOYSA-N
XLogP4.49
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
4-(2,4-diethylphenyl)sulfonylphenol
CID 71331194
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
5-ethyl-2,4-bis[(2-methylphenyl)sulfonyl]phenol
CID 139696742
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437
1-ethyl-4-methylsulfonylbenzene
CID 143759723
azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
CID 146681212
4-ethylbenzenesulfonothioamide
CID 154167373

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol?
The IUPAC name of 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol (CID 139696741) is 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol.
What is the SMILES notation for 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol?
The canonical SMILES for 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol is CCc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(CC)cc3)c(O)cc2C)cc1.
What is the InChIKey of 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol?
The InChIKey is KUVFAOLWPSDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5S2/c1-4-17-6-10-19(11-7-17)29(25,26)22-15-23(21(24)14-16(22)3)30(27,28)20-12-8-18(5-2)9-13-20/h6-15,24H,4-5H2,1-3H3.
What are the key properties of 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol?
2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol has a molecular weight of 444.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol is sourced from PubChem (CID 139696741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).