3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride

C9H10ClFO3S — CID 115047007

IUPAC3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10ClFO3S/c10-15(13,14)6-9(12)5-7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2
InChIKeyWLWZSHHXQUBBNS-UHFFFAOYSA-N
MW252.69 g/mol
LogP1.30
Rot. Bonds4

About 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride

3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride (PubChem CID 115047007) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride
PubChem CID115047007
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10ClFO3S/c10-15(13,14)6-9(12)5-7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2
InChIKeyWLWZSHHXQUBBNS-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride (CID 115047007) is 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride is O=S(=O)(Cl)CC(O)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride?
The InChIKey is WLWZSHHXQUBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c10-15(13,14)6-9(12)5-7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2.
What are the key properties of 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride?
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride is sourced from PubChem (CID 115047007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).