4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride

C8H9FO3S — CID 130033661

IUPAC4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)cc(C)c1O
InChIInChI=1S/C8H9FO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyZIPUMRGZZGNMMK-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.67
Rot. Bonds1

About 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride

4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride (PubChem CID 130033661) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
PubChem CID130033661
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(S(=O)(=O)F)cc(C)c1O
InChIInChI=1S/C8H9FO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyZIPUMRGZZGNMMK-UHFFFAOYSA-N
XLogP1.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
methyl 4-hydroxy-3,5-dimethylbenzenesulfonate
CID 130033670
3,5-dimethylbenzenesulfonyl fluoride
CID 86062029
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
2-methyl-4,6-bis(trifluoromethylsulfonyl)phenol
CID 20665113
1,1,1-trifluoro-N-(4-hydroxy-3,5-dimethylphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 21045179
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
2-iodo-6-methyl-4-methylsulfonylphenol
CID 126611860
propyl 4-hydroxy-3,5-dimethylbenzenesulfonate
CID 175309410
4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301909
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
2-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-3,4-dimethylphenol
CID 101302013

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride?
The IUPAC name of 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride (CID 130033661) is 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride?
The canonical SMILES for 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride is Cc1cc(S(=O)(=O)F)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride?
The InChIKey is ZIPUMRGZZGNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride?
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride has a molecular weight of 204.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride is sourced from PubChem (CID 130033661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).