1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone

C10H13NO4S — CID 117359936

IUPAC1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(O)cccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11-6-8(13)10-7(12)4-3-5-9(10)16(2,14)15/h3-5,11-12H,6H2,1-2H3
InChIKeyNFRBLRKTMMXOMV-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone

1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone (PubChem CID 117359936) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone
PubChem CID117359936
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(O)cccc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11-6-8(13)10-7(12)4-3-5-9(10)16(2,14)15/h3-5,11-12H,6H2,1-2H3
InChIKeyNFRBLRKTMMXOMV-UHFFFAOYSA-N
XLogP0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone (CID 117359936) is 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(O)cccc1S(C)(=O)=O.
What is the InChIKey of 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone?
The InChIKey is NFRBLRKTMMXOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11-6-8(13)10-7(12)4-3-5-9(10)16(2,14)15/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone?
1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone has a molecular weight of 243.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methylsulfonylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).