4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid

C11H9Cl2NO6S2 — CID 143039139

IUPAC4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccn2)cc1.O=S(=O)(O)Cl
InChIInChI=1S/C11H8ClNO3S.ClHO3S/c12-17(14,15)10-6-4-9(5-7-10)16-11-3-1-2-8-13-11;1-5(2,3)4/h1-8H;(H,2,3,4)
InChIKeyRTXGFWPCNSLDBR-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.83
Rot. Bonds3

About 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid

4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid (PubChem CID 143039139) has the molecular formula C11H9Cl2NO6S2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid.

Molecular Properties

Compound Name4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
PubChem CID143039139
Molecular FormulaC11H9Cl2NO6S2
Molecular Weight386.23 g/mol
Exact Mass384.92
IUPAC Name4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccn2)cc1.O=S(=O)(O)Cl
InChIInChI=1S/C11H8ClNO3S.ClHO3S/c12-17(14,15)10-6-4-9(5-7-10)16-11-3-1-2-8-13-11;1-5(2,3)4/h1-8H;(H,2,3,4)
InChIKeyRTXGFWPCNSLDBR-UHFFFAOYSA-N
XLogP2.83
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid?
The IUPAC name of 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid (CID 143039139) is 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid.
What is the SMILES notation for 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid?
The canonical SMILES for 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid is O=S(=O)(Cl)c1ccc(Oc2ccccn2)cc1.O=S(=O)(O)Cl.
What is the InChIKey of 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid?
The InChIKey is RTXGFWPCNSLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S.ClHO3S/c12-17(14,15)10-6-4-9(5-7-10)16-11-3-1-2-8-13-11;1-5(2,3)4/h1-8H;(H,2,3,4).
What are the key properties of 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid?
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid has a molecular weight of 386.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid is sourced from PubChem (CID 143039139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).