1-(3-hydroxyphenyl)sulfonylpropan-2-one

C9H10O4S — CID 58482507

IUPAC1-(3-hydroxyphenyl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O4S/c1-7(10)6-14(12,13)9-4-2-3-8(11)5-9/h2-5,11H,6H2,1H3
InChIKeyMAYHMVKXFDMRMR-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.75
Rot. Bonds3

About 1-(3-hydroxyphenyl)sulfonylpropan-2-one

1-(3-hydroxyphenyl)sulfonylpropan-2-one (PubChem CID 58482507) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)sulfonylpropan-2-one
PubChem CID58482507
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name1-(3-hydroxyphenyl)sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C9H10O4S/c1-7(10)6-14(12,13)9-4-2-3-8(11)5-9/h2-5,11H,6H2,1H3
InChIKeyMAYHMVKXFDMRMR-UHFFFAOYSA-N
XLogP0.75
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)sulfonylpropanoic acid
CID 84693395
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
3-(2,2-difluoroethylsulfonyl)phenol
CID 84687411
N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
2-(3-hydroxyphenyl)sulfonylethylcarbamic acid
CID 139485959
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-propan-2-ylsulfonylphenol
CID 23588863
3-(3-methylphenyl)sulfonylphenol
CID 134285490
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)sulfonylpropan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)sulfonylpropan-2-one (CID 58482507) is 1-(3-hydroxyphenyl)sulfonylpropan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)sulfonylpropan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)sulfonylpropan-2-one is CC(=O)CS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)sulfonylpropan-2-one?
The InChIKey is MAYHMVKXFDMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-7(10)6-14(12,13)9-4-2-3-8(11)5-9/h2-5,11H,6H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)sulfonylpropan-2-one?
1-(3-hydroxyphenyl)sulfonylpropan-2-one has a molecular weight of 214.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)sulfonylpropan-2-one is sourced from PubChem (CID 58482507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).