3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride

C9H10ClFO3S — CID 18071172

IUPAC3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H10ClFO3S/c1-6(2)14-9-4-3-7(5-8(9)11)15(10,12)13/h3-6H,1-2H3
InChIKeyFKNCJYJJXNAJCZ-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.54
Rot. Bonds3

About 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride

3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride (PubChem CID 18071172) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride
PubChem CID18071172
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H10ClFO3S/c1-6(2)14-9-4-3-7(5-8(9)11)15(10,12)13/h3-6H,1-2H3
InChIKeyFKNCJYJJXNAJCZ-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride (CID 18071172) is 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride is CC(C)Oc1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The InChIKey is FKNCJYJJXNAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-6(2)14-9-4-3-7(5-8(9)11)15(10,12)13/h3-6H,1-2H3.
What are the key properties of 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride?
3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 18071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).