3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride

C9H8ClFO3S — CID 115046737

IUPAC3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
SMILESO=C(Cc1cccc(Cl)c1)CS(=O)(=O)F
InChIInChI=1S/C9H8ClFO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4H,5-6H2
InChIKeyHEXMITMLSZBOIP-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.75
Rot. Bonds4

About 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride

3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride (PubChem CID 115046737) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
PubChem CID115046737
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
SMILESO=C(Cc1cccc(Cl)c1)CS(=O)(=O)F
InChIInChI=1S/C9H8ClFO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4H,5-6H2
InChIKeyHEXMITMLSZBOIP-UHFFFAOYSA-N
XLogP1.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-5-methylsulfonylpentan-2-one
CID 63192015
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(3-chlorophenyl)propan-2-one
CID 2734097
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
CID 62474533
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
1-(3-chlorophenyl)hex-5-yn-2-one
CID 63656882
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
1-(3-chlorophenyl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144407

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride?
The IUPAC name of 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride (CID 115046737) is 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride?
The canonical SMILES for 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride is O=C(Cc1cccc(Cl)c1)CS(=O)(=O)F.
What is the InChIKey of 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride?
The InChIKey is HEXMITMLSZBOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4H,5-6H2.
What are the key properties of 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride?
3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride has a molecular weight of 250.68 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride is sourced from PubChem (CID 115046737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).