3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride

C7H6ClFO4S — CID 84800602

IUPAC3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(O)c(F)c1O
InChIInChI=1S/C7H6ClFO4S/c1-3-2-4(14(8,12)13)7(11)5(9)6(3)10/h2,10-11H,1H3
InChIKeyNVAMJGIFLYXIBR-UHFFFAOYSA-N
MW240.64 g/mol
LogP1.47
Rot. Bonds1

About 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride

3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride (PubChem CID 84800602) has the molecular formula C7H6ClFO4S and a molecular weight of 240.64 g/mol. Its IUPAC name is 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
PubChem CID84800602
Molecular FormulaC7H6ClFO4S
Molecular Weight240.64 g/mol
Exact Mass239.97
IUPAC Name3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(O)c(F)c1O
InChIInChI=1S/C7H6ClFO4S/c1-3-2-4(14(8,12)13)7(11)5(9)6(3)10/h2,10-11H,1H3
InChIKeyNVAMJGIFLYXIBR-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride (CID 84800602) is 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(O)c(F)c1O.
What is the InChIKey of 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride?
The InChIKey is NVAMJGIFLYXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO4S/c1-3-2-4(14(8,12)13)7(11)5(9)6(3)10/h2,10-11H,1H3.
What are the key properties of 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride?
3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride has a molecular weight of 240.64 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dihydroxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84800602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).