[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate

C11H13NO5S — CID 88517179

IUPAC[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate
SMILESCN(C=O)c1ccccc1C(=O)COS(C)(=O)=O
InChIInChI=1S/C11H13NO5S/c1-12(8-13)10-6-4-3-5-9(10)11(14)7-17-18(2,15)16/h3-6,8H,7H2,1-2H3
InChIKeyWFHDYZDDWYQDIS-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.44
Rot. Bonds6

About [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate

[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate (PubChem CID 88517179) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate.

Molecular Properties

Compound Name[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate
PubChem CID88517179
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate
SMILESCN(C=O)c1ccccc1C(=O)COS(C)(=O)=O
InChIInChI=1S/C11H13NO5S/c1-12(8-13)10-6-4-3-5-9(10)11(14)7-17-18(2,15)16/h3-6,8H,7H2,1-2H3
InChIKeyWFHDYZDDWYQDIS-UHFFFAOYSA-N
XLogP0.44
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 87403648
[2-(2-ethylphenyl)-2-oxoethyl] methanesulfonate
CID 11459156
(2S)-2-amino-4-[2-[formyl(methyl)amino]phenyl]-4-oxobutanoic acid
CID 122177971
methyl 2-[2-(2-methylsulfonyloxyacetyl)phenyl]acetate
CID 11312187
N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide
CID 86744742
N-[2-(dimethylamino)phenyl]-N-methylformamide
CID 142965400
methyl-(2-methylsulfonyloxyphenyl)carbamic acid
CID 154249562
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
N-[2-[formyl(methyl)amino]phenyl]acetamide
CID 130011413
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
methyl 2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl]benzoate
CID 122573177

Frequently Asked Questions

What is the IUPAC name of [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate?
The IUPAC name of [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate (CID 88517179) is [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate.
What is the SMILES notation for [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate?
The canonical SMILES for [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate is CN(C=O)c1ccccc1C(=O)COS(C)(=O)=O.
What is the InChIKey of [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate?
The InChIKey is WFHDYZDDWYQDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-12(8-13)10-6-4-3-5-9(10)11(14)7-17-18(2,15)16/h3-6,8H,7H2,1-2H3.
What are the key properties of [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate?
[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate has a molecular weight of 271.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate is sourced from PubChem (CID 88517179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).