5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol

C14H14O4S — CID 101301628

IUPAC5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2ccc(O)cc2)cc(O)c1C
InChIInChI=1S/C14H14O4S/c1-9-7-13(8-14(16)10(9)2)19(17,18)12-5-3-11(15)4-6-12/h3-8,15-16H,1-2H3
InChIKeyWEMNSAVBKPIZOF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol

5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol (PubChem CID 101301628) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
PubChem CID101301628
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2ccc(O)cc2)cc(O)c1C
InChIInChI=1S/C14H14O4S/c1-9-7-13(8-14(16)10(9)2)19(17,18)12-5-3-11(15)4-6-12/h3-8,15-16H,1-2H3
InChIKeyWEMNSAVBKPIZOF-UHFFFAOYSA-N
XLogP2.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888
CID 70636806
CID 70636806
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301592
4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol?
The IUPAC name of 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol (CID 101301628) is 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol.
What is the SMILES notation for 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol?
The canonical SMILES for 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol is Cc1cc(S(=O)(=O)c2ccc(O)cc2)cc(O)c1C.
What is the InChIKey of 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol?
The InChIKey is WEMNSAVBKPIZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-7-13(8-14(16)10(9)2)19(17,18)12-5-3-11(15)4-6-12/h3-8,15-16H,1-2H3.
What are the key properties of 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol?
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol has a molecular weight of 278.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol is sourced from PubChem (CID 101301628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).