3-chloro-4-hydroxybenzenesulfonyl fluoride

C6H4ClFO3S — CID 88848021

IUPAC3-chloro-4-hydroxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(O)c(Cl)c1
InChIInChI=1S/C6H4ClFO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H
InChIKeyNVDIFQWQUIRYSL-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.70
Rot. Bonds1

About 3-chloro-4-hydroxybenzenesulfonyl fluoride

3-chloro-4-hydroxybenzenesulfonyl fluoride (PubChem CID 88848021) has the molecular formula C6H4ClFO3S and a molecular weight of 210.61 g/mol. Its IUPAC name is 3-chloro-4-hydroxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-chloro-4-hydroxybenzenesulfonyl fluoride
PubChem CID88848021
Molecular FormulaC6H4ClFO3S
Molecular Weight210.61 g/mol
Exact Mass209.96
IUPAC Name3-chloro-4-hydroxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(O)c(Cl)c1
InChIInChI=1S/C6H4ClFO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H
InChIKeyNVDIFQWQUIRYSL-UHFFFAOYSA-N
XLogP1.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dichloro-4-hydroxybenzenesulphonic acid
CID 91397
Benzenesulfonyl fluoride, 2,5-dichloro-4-hydroxy-
CID 99191
3,5-Dichloro-2-hydroxybenzenesulphonyl chloride
CID 90078
3,5-Dichloro-4-hydroxybenzene-1-sulfonamide
CID 12526990
2-Chloro-4-mercaptophenol
CID 14369743
Benzenesulfonyl fluoride, 3,5-dichloro-2-hydroxy-
CID 99202
Phenol, 2-chloro-4-(methylsulfonyl)-
CID 210099
Benzenesulfonylfluoride, 5-chloro-2-hydroxy-
CID 303527
3,5-Dichloro-4-hydroxybenzene-1-sulfonyl chloride
CID 2735994
3-Chloro-4-hydroxybenzene-1-sulfonamide
CID 304037
5-Chloro-2-hydroxybenzene-1-sulfonyl chloride
CID 304384
2,6-Dichloro-4-(methylsulfonyl)phenol
CID 735866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxybenzenesulfonyl fluoride?
The IUPAC name of 3-chloro-4-hydroxybenzenesulfonyl fluoride (CID 88848021) is 3-chloro-4-hydroxybenzenesulfonyl fluoride.
What is the SMILES notation for 3-chloro-4-hydroxybenzenesulfonyl fluoride?
The canonical SMILES for 3-chloro-4-hydroxybenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxybenzenesulfonyl fluoride?
The InChIKey is NVDIFQWQUIRYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H.
What are the key properties of 3-chloro-4-hydroxybenzenesulfonyl fluoride?
3-chloro-4-hydroxybenzenesulfonyl fluoride has a molecular weight of 210.61 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxybenzenesulfonyl fluoride is sourced from PubChem (CID 88848021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).