5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride

C9H10ClFO3S — CID 82298293

IUPAC5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride
SMILESCCOc1cc(C)c(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C9H10ClFO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3
InChIKeyGRPZTRNUVLWWEA-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride

5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride (PubChem CID 82298293) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride
PubChem CID82298293
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride
SMILESCCOc1cc(C)c(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C9H10ClFO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3
InChIKeyGRPZTRNUVLWWEA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride?
The IUPAC name of 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride (CID 82298293) is 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride?
The canonical SMILES for 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride is CCOc1cc(C)c(S(=O)(=O)F)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride?
The InChIKey is GRPZTRNUVLWWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-3-14-8-4-6(2)9(5-7(8)10)15(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride?
5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride has a molecular weight of 252.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 82298293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).