2-(3-fluorophenyl)propane-1-sulfonyl chloride

C9H10ClFO2S — CID 83647488

IUPAC2-(3-fluorophenyl)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)c1cccc(F)c1
InChIInChI=1S/C9H10ClFO2S/c1-7(6-14(10,12)13)8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3
InChIKeyNGAMBXLYWAQXLT-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.50
Rot. Bonds3

About 2-(3-fluorophenyl)propane-1-sulfonyl chloride

2-(3-fluorophenyl)propane-1-sulfonyl chloride (PubChem CID 83647488) has the molecular formula C9H10ClFO2S and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(3-fluorophenyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)propane-1-sulfonyl chloride
PubChem CID83647488
Molecular FormulaC9H10ClFO2S
Molecular Weight236.70 g/mol
Exact Mass236.01
IUPAC Name2-(3-fluorophenyl)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)c1cccc(F)c1
InChIInChI=1S/C9H10ClFO2S/c1-7(6-14(10,12)13)8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3
InChIKeyNGAMBXLYWAQXLT-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)propane-1-sulfonyl chloride?
The IUPAC name of 2-(3-fluorophenyl)propane-1-sulfonyl chloride (CID 83647488) is 2-(3-fluorophenyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-fluorophenyl)propane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-fluorophenyl)propane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)propane-1-sulfonyl chloride?
The InChIKey is NGAMBXLYWAQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c1-7(6-14(10,12)13)8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)propane-1-sulfonyl chloride?
2-(3-fluorophenyl)propane-1-sulfonyl chloride has a molecular weight of 236.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 83647488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).