bis(4-chlorophenyl) sulfate

C12H8Cl2O4S — CID 57162501

IUPACbis(4-chlorophenyl) sulfate
SMILESO=S(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O4S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H
InChIKeyICMVQLMSIGCISC-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.70
Rot. Bonds4

About bis(4-chlorophenyl) sulfate

bis(4-chlorophenyl) sulfate (PubChem CID 57162501) has the molecular formula C12H8Cl2O4S and a molecular weight of 319.17 g/mol. Its IUPAC name is bis(4-chlorophenyl) sulfate.

Molecular Properties

Compound Namebis(4-chlorophenyl) sulfate
PubChem CID57162501
Molecular FormulaC12H8Cl2O4S
Molecular Weight319.17 g/mol
Exact Mass317.95
IUPAC Namebis(4-chlorophenyl) sulfate
SMILESO=S(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O4S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H
InChIKeyICMVQLMSIGCISC-UHFFFAOYSA-N
XLogP3.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(4-chlorophenyl) sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenoxy)sulfonyl carbonochloridate
CID 175267114
(4-chlorophenyl) 2,2,2-trichloroethyl sulfate
CID 71375995
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 88814973
(4-chlorophenyl) 2-chloroethanesulfonate
CID 13193323
(4-chlorophenyl) 1-chloro-2-methylpropane-1-sulfonate
CID 13193340
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578
N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 134927709
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-[(4-chlorophenoxy)-oxo-(trifluoromethyl)-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 23627142
(4-chlorophenyl) 3,4-diaminobenzenesulfonate
CID 23347917

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl) sulfate?
The IUPAC name of bis(4-chlorophenyl) sulfate (CID 57162501) is bis(4-chlorophenyl) sulfate.
What is the SMILES notation for bis(4-chlorophenyl) sulfate?
The canonical SMILES for bis(4-chlorophenyl) sulfate is O=S(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl) sulfate?
The InChIKey is ICMVQLMSIGCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O4S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of bis(4-chlorophenyl) sulfate?
bis(4-chlorophenyl) sulfate has a molecular weight of 319.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl) sulfate is sourced from PubChem (CID 57162501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).