3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride

C6H2Cl2F2O3S — CID 84807137

IUPAC3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C6H2Cl2F2O3S/c7-4-3(11)1-2(9)6(5(4)10)14(8,12)13/h1,11H
InChIKeySZCVZIVZTLQYTN-UHFFFAOYSA-N
MW263.05 g/mol
LogP2.25
Rot. Bonds1

About 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride

3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride (PubChem CID 84807137) has the molecular formula C6H2Cl2F2O3S and a molecular weight of 263.05 g/mol. Its IUPAC name is 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride
PubChem CID84807137
Molecular FormulaC6H2Cl2F2O3S
Molecular Weight263.05 g/mol
Exact Mass261.91
IUPAC Name3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C6H2Cl2F2O3S/c7-4-3(11)1-2(9)6(5(4)10)14(8,12)13/h1,11H
InChIKeySZCVZIVZTLQYTN-UHFFFAOYSA-N
XLogP2.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride (CID 84807137) is 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1c(F)cc(O)c(Cl)c1F.
What is the InChIKey of 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride?
The InChIKey is SZCVZIVZTLQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2O3S/c7-4-3(11)1-2(9)6(5(4)10)14(8,12)13/h1,11H.
What are the key properties of 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride?
3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride has a molecular weight of 263.05 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-difluoro-4-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84807137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).