[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride

C11H13ClO3S — CID 84710274

IUPAC[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(C2CCOC2)c1
InChIInChI=1S/C11H13ClO3S/c12-16(13,14)8-9-2-1-3-10(6-9)11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2
InChIKeyBXVQIZYNRLVIIO-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.26
Rot. Bonds3

About [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride

[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride (PubChem CID 84710274) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride
PubChem CID84710274
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(C2CCOC2)c1
InChIInChI=1S/C11H13ClO3S/c12-16(13,14)8-9-2-1-3-10(6-9)11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2
InChIKeyBXVQIZYNRLVIIO-UHFFFAOYSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride 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

3-(oxolan-3-yl)benzenesulfonyl chloride
CID 84705900
1-[3-(oxolan-3-yl)phenyl]propan-2-one
CID 83832521
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
3-(3-bromophenyl)oxolane
CID 66521315
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
(3R)-3-phenyloxolane
CID 92859476
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
CID 138012179
2-[3-(oxolan-3-yl)phenyl]butanoic acid
CID 171058887

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride (CID 84710274) is [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(C2CCOC2)c1.
What is the InChIKey of [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride?
The InChIKey is BXVQIZYNRLVIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c12-16(13,14)8-9-2-1-3-10(6-9)11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2.
What are the key properties of [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride?
[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride has a molecular weight of 260.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 84710274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).