4-(oxetan-3-ylmethyl)benzenesulfonyl chloride

C10H11ClO3S — CID 84705898

IUPAC4-(oxetan-3-ylmethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CC2COC2)cc1
InChIInChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-8(2-4-10)5-9-6-14-7-9/h1-4,9H,5-7H2
InChIKeyIYYBLOVWVADASG-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.80
Rot. Bonds3

About 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride

4-(oxetan-3-ylmethyl)benzenesulfonyl chloride (PubChem CID 84705898) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(oxetan-3-ylmethyl)benzenesulfonyl chloride
PubChem CID84705898
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name4-(oxetan-3-ylmethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CC2COC2)cc1
InChIInChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-8(2-4-10)5-9-6-14-7-9/h1-4,9H,5-7H2
InChIKeyIYYBLOVWVADASG-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride (CID 84705898) is 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(CC2COC2)cc1.
What is the InChIKey of 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride?
The InChIKey is IYYBLOVWVADASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-8(2-4-10)5-9-6-14-7-9/h1-4,9H,5-7H2.
What are the key properties of 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride?
4-(oxetan-3-ylmethyl)benzenesulfonyl chloride has a molecular weight of 246.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethyl)benzenesulfonyl chloride is sourced from PubChem (CID 84705898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).