3,5-dichloro-4-hydroxybenzenesulfonyl chloride

C6H3Cl3O3S — CID 2735994

IUPAC3,5-dichloro-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyAELFLPJWVRGXKU-UHFFFAOYSA-N
MW261.51 g/mol
LogP2.63
Rot. Bonds1

About 3,5-dichloro-4-hydroxybenzenesulfonyl chloride

3,5-dichloro-4-hydroxybenzenesulfonyl chloride (PubChem CID 2735994) has the molecular formula C6H3Cl3O3S and a molecular weight of 261.51 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxybenzenesulfonyl chloride
PubChem CID2735994
Molecular FormulaC6H3Cl3O3S
Molecular Weight261.51 g/mol
Exact Mass259.89
IUPAC Name3,5-dichloro-4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H
InChIKeyAELFLPJWVRGXKU-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-hydroxybenzenesulfonyl chloride (CID 2735994) is 3,5-dichloro-4-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxybenzenesulfonyl chloride?
The InChIKey is AELFLPJWVRGXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O3S/c7-4-1-3(13(9,11)12)2-5(8)6(4)10/h1-2,10H.
What are the key properties of 3,5-dichloro-4-hydroxybenzenesulfonyl chloride?
3,5-dichloro-4-hydroxybenzenesulfonyl chloride has a molecular weight of 261.51 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 2735994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).