potassium 4-(4-chlorophenyl)sulfonylphenolate

C12H8ClKO3S — CID 23704030

IUPACpotassium 4-(4-chlorophenyl)sulfonylphenolate
SMILESO=S(=O)(c1ccc([O-])cc1)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C12H9ClO3S.K/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h1-8,14H;/q;+1/p-1
InChIKeyWTMAMFZHFUMYTH-UHFFFAOYSA-M
MW306.81 g/mol
LogP-0.75
Rot. Bonds2

About potassium 4-(4-chlorophenyl)sulfonylphenolate

potassium 4-(4-chlorophenyl)sulfonylphenolate (PubChem CID 23704030) has the molecular formula C12H8ClKO3S and a molecular weight of 306.81 g/mol. Its IUPAC name is potassium 4-(4-chlorophenyl)sulfonylphenolate.

Molecular Properties

Compound Namepotassium 4-(4-chlorophenyl)sulfonylphenolate
PubChem CID23704030
Molecular FormulaC12H8ClKO3S
Molecular Weight306.81 g/mol
Exact Mass305.95
IUPAC Namepotassium 4-(4-chlorophenyl)sulfonylphenolate
SMILESO=S(=O)(c1ccc([O-])cc1)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C12H9ClO3S.K/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h1-8,14H;/q;+1/p-1
InChIKeyWTMAMFZHFUMYTH-UHFFFAOYSA-M
XLogP-0.75
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 4-chlorophenolate
CID 23661843
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
potassium (4-chlorophenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
CID 42618709
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
5-(4-chlorophenyl)sulfonylpyridin-2-amine
CID 117032151
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
bis(4-chlorobenzenesulfonate);mercury(2+)
CID 22604664
(1S,5S)-2,6-bis[(4-chlorophenyl)sulfonyl]bicyclo[3.3.1]nona-2,6-diene
CID 11102728
1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene
CID 58607331

Frequently Asked Questions

What is the IUPAC name of potassium 4-(4-chlorophenyl)sulfonylphenolate?
The IUPAC name of potassium 4-(4-chlorophenyl)sulfonylphenolate (CID 23704030) is potassium 4-(4-chlorophenyl)sulfonylphenolate.
What is the SMILES notation for potassium 4-(4-chlorophenyl)sulfonylphenolate?
The canonical SMILES for potassium 4-(4-chlorophenyl)sulfonylphenolate is O=S(=O)(c1ccc([O-])cc1)c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium 4-(4-chlorophenyl)sulfonylphenolate?
The InChIKey is WTMAMFZHFUMYTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9ClO3S.K/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;/h1-8,14H;/q;+1/p-1.
What are the key properties of potassium 4-(4-chlorophenyl)sulfonylphenolate?
potassium 4-(4-chlorophenyl)sulfonylphenolate has a molecular weight of 306.81 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(4-chlorophenyl)sulfonylphenolate is sourced from PubChem (CID 23704030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).