2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride

C10H10ClFO2S — CID 164657168

IUPAC2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride
SMILESCc1cc(C2CC2S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C10H10ClFO2S/c1-6-4-7(2-3-9(6)12)8-5-10(8)15(11,13)14/h2-4,8,10H,5H2,1H3
InChIKeyJVMWEZYADIARJG-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.56
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride

2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 164657168) has the molecular formula C10H10ClFO2S and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride
PubChem CID164657168
Molecular FormulaC10H10ClFO2S
Molecular Weight248.71 g/mol
Exact Mass248.01
IUPAC Name2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride
SMILESCc1cc(C2CC2S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C10H10ClFO2S/c1-6-4-7(2-3-9(6)12)8-5-10(8)15(11,13)14/h2-4,8,10H,5H2,1H3
InChIKeyJVMWEZYADIARJG-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride (CID 164657168) is 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride is Cc1cc(C2CC2S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is JVMWEZYADIARJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2S/c1-6-4-7(2-3-9(6)12)8-5-10(8)15(11,13)14/h2-4,8,10H,5H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride?
2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 248.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 164657168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).