5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol

C14H14O4S — CID 101301695

IUPAC5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
SMILESCc1c(O)cc(S(=O)(=O)c2ccccc2)c(C)c1O
InChIInChI=1S/C14H14O4S/c1-9-12(15)8-13(10(2)14(9)16)19(17,18)11-6-4-3-5-7-11/h3-8,15-16H,1-2H3
InChIKeyZJPMEYYQRZWFBM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol

5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol (PubChem CID 101301695) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
PubChem CID101301695
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
SMILESCc1c(O)cc(S(=O)(=O)c2ccccc2)c(C)c1O
InChIInChI=1S/C14H14O4S/c1-9-12(15)8-13(10(2)14(9)16)19(17,18)11-6-4-3-5-7-11/h3-8,15-16H,1-2H3
InChIKeyZJPMEYYQRZWFBM-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-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol 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-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
CID 174567949
1,2-bis(benzenesulfonyl)benzene
CID 19980733
2-(4-methylphenyl)sulfonylphenol
CID 10879464
4-(benzenesulfonyl)-2,6-ditert-butylphenol
CID 18352046
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol
CID 20648938
benzenesulfonylbenzene;ethane;methanol
CID 123145310
2-(benzenesulfonyl)-5-propan-2-yloxyphenol
CID 22133617
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
CID 22237238
4-(benzenesulfonyl)-6-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 135843587

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol?
The IUPAC name of 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol (CID 101301695) is 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol.
What is the SMILES notation for 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol?
The canonical SMILES for 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol is Cc1c(O)cc(S(=O)(=O)c2ccccc2)c(C)c1O.
What is the InChIKey of 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol?
The InChIKey is ZJPMEYYQRZWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-12(15)8-13(10(2)14(9)16)19(17,18)11-6-4-3-5-7-11/h3-8,15-16H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol?
5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol 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-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol is sourced from PubChem (CID 101301695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).