4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride

C12H8Cl2O5S2 — CID 8484

IUPAC4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
InChIKeyHJKXLQIPODSWMB-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.33
Rot. Bonds4

About 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride

4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride (PubChem CID 8484) has the molecular formula C12H8Cl2O5S2 and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
PubChem CID8484
Molecular FormulaC12H8Cl2O5S2
Molecular Weight367.23 g/mol
Exact Mass365.92
IUPAC Name4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
InChIKeyHJKXLQIPODSWMB-UHFFFAOYSA-N
XLogP3.33
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
4-(3-chloro-5-methylphenoxy)benzenesulfonyl chloride
CID 143425071
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
4-silylbenzenesulfonyl chloride
CID 174005817
4-bromobenzenesulfonyl chloride
CID 174561770
methyl 4-chlorosulfonylbenzenesulfonate
CID 87295190

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride (CID 8484) is 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride?
The InChIKey is HJKXLQIPODSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H.
What are the key properties of 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride?
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride has a molecular weight of 367.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 8484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).