(4-chlorophenoxy)sulfonyl carbonochloridate

C7H4Cl2O5S — CID 175267114

IUPAC(4-chlorophenoxy)sulfonyl carbonochloridate
SMILESO=C(Cl)OS(=O)(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O5S/c8-5-1-3-6(4-2-5)13-15(11,12)14-7(9)10/h1-4H
InChIKeyACRPKUXMZJSMJX-UHFFFAOYSA-N
MW271.08 g/mol
LogP2.34
Rot. Bonds3

About (4-chlorophenoxy)sulfonyl carbonochloridate

(4-chlorophenoxy)sulfonyl carbonochloridate (PubChem CID 175267114) has the molecular formula C7H4Cl2O5S and a molecular weight of 271.08 g/mol. Its IUPAC name is (4-chlorophenoxy)sulfonyl carbonochloridate.

Molecular Properties

Compound Name(4-chlorophenoxy)sulfonyl carbonochloridate
PubChem CID175267114
Molecular FormulaC7H4Cl2O5S
Molecular Weight271.08 g/mol
Exact Mass269.92
IUPAC Name(4-chlorophenoxy)sulfonyl carbonochloridate
SMILESO=C(Cl)OS(=O)(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O5S/c8-5-1-3-6(4-2-5)13-15(11,12)14-7(9)10/h1-4H
InChIKeyACRPKUXMZJSMJX-UHFFFAOYSA-N
XLogP2.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chlorophenoxy)sulfonyl carbonochloridate 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

bis(4-chlorophenyl) sulfate
CID 57162501
(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 88814973
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
(4-chlorophenyl) 2,2,2-trichloroethyl sulfate
CID 71375995
N-[(4-chlorophenoxy)-oxo-(trifluoromethyl)-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 23627142
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
(4-chlorophenyl) 2-chloroethanesulfonate
CID 13193323
(4-benzoylphenyl) 4-chlorobenzenesulfonate
CID 7314216
(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate
CID 139609378
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
(4-chlorophenyl) 1-chloro-2-methylpropane-1-sulfonate
CID 13193340
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)sulfonyl carbonochloridate?
The IUPAC name of (4-chlorophenoxy)sulfonyl carbonochloridate (CID 175267114) is (4-chlorophenoxy)sulfonyl carbonochloridate.
What is the SMILES notation for (4-chlorophenoxy)sulfonyl carbonochloridate?
The canonical SMILES for (4-chlorophenoxy)sulfonyl carbonochloridate is O=C(Cl)OS(=O)(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)sulfonyl carbonochloridate?
The InChIKey is ACRPKUXMZJSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O5S/c8-5-1-3-6(4-2-5)13-15(11,12)14-7(9)10/h1-4H.
What are the key properties of (4-chlorophenoxy)sulfonyl carbonochloridate?
(4-chlorophenoxy)sulfonyl carbonochloridate has a molecular weight of 271.08 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)sulfonyl carbonochloridate is sourced from PubChem (CID 175267114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).