lithium 2-(4-benzoylphenyl)sulfonylacetate

C15H11LiO5S — CID 139892196

IUPAClithium 2-(4-benzoylphenyl)sulfonylacetate
SMILESO=C([O-])CS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C15H12O5S.Li/c16-14(17)10-21(19,20)13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1
InChIKeyLBBPIRKGYPGXMV-UHFFFAOYSA-M
MW310.26 g/mol
LogP-2.55
Rot. Bonds5

About lithium 2-(4-benzoylphenyl)sulfonylacetate

lithium 2-(4-benzoylphenyl)sulfonylacetate (PubChem CID 139892196) has the molecular formula C15H11LiO5S and a molecular weight of 310.26 g/mol. Its IUPAC name is lithium 2-(4-benzoylphenyl)sulfonylacetate.

Molecular Properties

Compound Namelithium 2-(4-benzoylphenyl)sulfonylacetate
PubChem CID139892196
Molecular FormulaC15H11LiO5S
Molecular Weight310.26 g/mol
Exact Mass310.05
IUPAC Namelithium 2-(4-benzoylphenyl)sulfonylacetate
SMILESO=C([O-])CS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C15H12O5S.Li/c16-14(17)10-21(19,20)13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1
InChIKeyLBBPIRKGYPGXMV-UHFFFAOYSA-M
XLogP-2.55
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-2.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylphenyl)sulfonylacetate
CID 23047728
3-(4-benzoylphenyl)sulfonylpropanoic acid
CID 18533027
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
4-benzoylbenzenesulfonamide
CID 70209200
2-(4-bromophenyl)sulfonylacetate
CID 7744989
calcium 2-(4-chlorophenyl)sulfonylacetate
CID 18466443
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
diphenylmethanone
CID 3102
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822

Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-benzoylphenyl)sulfonylacetate?
The IUPAC name of lithium 2-(4-benzoylphenyl)sulfonylacetate (CID 139892196) is lithium 2-(4-benzoylphenyl)sulfonylacetate.
What is the SMILES notation for lithium 2-(4-benzoylphenyl)sulfonylacetate?
The canonical SMILES for lithium 2-(4-benzoylphenyl)sulfonylacetate is O=C([O-])CS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1.[Li+].
What is the InChIKey of lithium 2-(4-benzoylphenyl)sulfonylacetate?
The InChIKey is LBBPIRKGYPGXMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12O5S.Li/c16-14(17)10-21(19,20)13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 2-(4-benzoylphenyl)sulfonylacetate?
lithium 2-(4-benzoylphenyl)sulfonylacetate has a molecular weight of 310.26 g/mol, XLogP of -2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-benzoylphenyl)sulfonylacetate is sourced from PubChem (CID 139892196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).