1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone

C11H15NO4S — CID 19783668

IUPAC1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone
SMILESCN(C)c1ccc(C(=O)CO)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-12(2)8-4-5-9(10(14)7-13)11(6-8)17(3,15)16/h4-6,13H,7H2,1-3H3
InChIKeyQGEZBPAZWZSEEB-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.33
Rot. Bonds4

About 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone

1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone (PubChem CID 19783668) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone
PubChem CID19783668
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone
SMILESCN(C)c1ccc(C(=O)CO)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-12(2)8-4-5-9(10(14)7-13)11(6-8)17(3,15)16/h4-6,13H,7H2,1-3H3
InChIKeyQGEZBPAZWZSEEB-UHFFFAOYSA-N
XLogP0.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598
5-(dimethylamino)-2-[4-(dimethylamino)phenyl]benzenesulfonic acid
CID 154409585
2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 97331120
1-[4-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385530
1-[2-amino-4-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethanone
CID 70364139
2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
CID 69344978
4-(dimethylamino)-2-hydroxybenzamide
CID 59564012
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
5-(dimethylamino)-2-[(S)-[4-(dimethylamino)phenyl]-hydroxymethyl]benzenesulfonic acid
CID 124635156
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
4-(dimethylamino)-2-fluorobenzenesulfonyl chloride
CID 139490972
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone (CID 19783668) is 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone is CN(C)c1ccc(C(=O)CO)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone?
The InChIKey is QGEZBPAZWZSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-12(2)8-4-5-9(10(14)7-13)11(6-8)17(3,15)16/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone?
1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone has a molecular weight of 257.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methylsulfonylphenyl]-2-hydroxyethanone is sourced from PubChem (CID 19783668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).