chlorosulfonyloxymethoxybenzene

C7H7ClO4S — CID 55280416

IUPACchlorosulfonyloxymethoxybenzene
SMILESO=S(=O)(Cl)OCOc1ccccc1
InChIInChI=1S/C7H7ClO4S/c8-13(9,10)12-6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPDIQLVOLNMVRBS-UHFFFAOYSA-N
MW222.65 g/mol
LogP1.52
Rot. Bonds4

About chlorosulfonyloxymethoxybenzene

chlorosulfonyloxymethoxybenzene (PubChem CID 55280416) has the molecular formula C7H7ClO4S and a molecular weight of 222.65 g/mol. Its IUPAC name is chlorosulfonyloxymethoxybenzene.

Molecular Properties

Compound Namechlorosulfonyloxymethoxybenzene
PubChem CID55280416
Molecular FormulaC7H7ClO4S
Molecular Weight222.65 g/mol
Exact Mass221.98
IUPAC Namechlorosulfonyloxymethoxybenzene
SMILESO=S(=O)(Cl)OCOc1ccccc1
InChIInChI=1S/C7H7ClO4S/c8-13(9,10)12-6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPDIQLVOLNMVRBS-UHFFFAOYSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

chlorosulfonyl 2-phenoxyacetate
CID 87253994
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
dichloro(phenoxymethoxy)silane
CID 123225652
sodium;chlorosulfonyloxybenzene;hydride
CID 174571400
phenoxymethanesulfonyl iodide
CID 174484438
dichloro-bis(3-phenoxypropyl)-λ4-sulfane
CID 126763553
trichloro(3-phenoxypropyl)-λ4-sulfane
CID 170234656
hydroxy-oxo-(3-phenoxypropoxy)-sulfanylidene-λ6-sulfane
CID 54414748
2-phenoxyethanesulfonamide
CID 54595861
phenoxymethylbenzene;sulfuric acid
CID 68982967
anisole;methanesulfonyl chloride
CID 162217178

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyloxymethoxybenzene?
The IUPAC name of chlorosulfonyloxymethoxybenzene (CID 55280416) is chlorosulfonyloxymethoxybenzene.
What is the SMILES notation for chlorosulfonyloxymethoxybenzene?
The canonical SMILES for chlorosulfonyloxymethoxybenzene is O=S(=O)(Cl)OCOc1ccccc1.
What is the InChIKey of chlorosulfonyloxymethoxybenzene?
The InChIKey is PDIQLVOLNMVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S/c8-13(9,10)12-6-11-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of chlorosulfonyloxymethoxybenzene?
chlorosulfonyloxymethoxybenzene has a molecular weight of 222.65 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyloxymethoxybenzene is sourced from PubChem (CID 55280416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).