[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride

C10H10ClFO3S2 — CID 117478091

IUPAC[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(SC2COC2)c(F)c1
InChIInChI=1S/C10H10ClFO3S2/c11-17(13,14)6-7-1-2-10(9(12)3-7)16-8-4-15-5-8/h1-3,8H,4-6H2
InChIKeyGYAGHTYQVUEVLX-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.39
Rot. Bonds4

About [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride

[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride (PubChem CID 117478091) has the molecular formula C10H10ClFO3S2 and a molecular weight of 296.77 g/mol. Its IUPAC name is [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride
PubChem CID117478091
Molecular FormulaC10H10ClFO3S2
Molecular Weight296.77 g/mol
Exact Mass295.97
IUPAC Name[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(SC2COC2)c(F)c1
InChIInChI=1S/C10H10ClFO3S2/c11-17(13,14)6-7-1-2-10(9(12)3-7)16-8-4-15-5-8/h1-3,8H,4-6H2
InChIKeyGYAGHTYQVUEVLX-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride (CID 117478091) is [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(SC2COC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride?
The InChIKey is GYAGHTYQVUEVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3S2/c11-17(13,14)6-7-1-2-10(9(12)3-7)16-8-4-15-5-8/h1-3,8H,4-6H2.
What are the key properties of [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride?
[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride has a molecular weight of 296.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117478091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).