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

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Related Compounds

4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
2,3,4-trifluoro-6-methylphenol
CID 54304883
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
4-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
CID 84801879
3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
CID 123478222
6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049
2,4-dibromo-5-methylbenzenesulfonyl chloride
CID 171002124
3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
CID 82915288
4-acetyl-2-methylbenzenesulfonyl chloride
CID 146613857

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).