N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide

C11H12FNO4S — CID 86744742

IUPACN-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1cc(F)ccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H12FNO4S/c1-13(7-14)10-5-8(12)3-4-9(10)11(15)6-18(2,16)17/h3-5,7H,6H2,1-2H3
InChIKeyXRMUHYGBXIARHJ-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.65
Rot. Bonds5

About N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide

N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide (PubChem CID 86744742) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide
PubChem CID86744742
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC NameN-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1cc(F)ccc1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H12FNO4S/c1-13(7-14)10-5-8(12)3-4-9(10)11(15)6-18(2,16)17/h3-5,7H,6H2,1-2H3
InChIKeyXRMUHYGBXIARHJ-UHFFFAOYSA-N
XLogP0.65
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide
CID 23128095
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 115604643
[2-[2-[formyl(methyl)amino]phenyl]-2-oxoethyl] methanesulfonate
CID 88517179
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
N-[2-(3-cyclopropyl-3-oxopropanoyl)-5-fluorophenyl]-N-ethylmethanesulfonamide
CID 22620952
1-(2,4-difluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767572
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
N-(2,5-difluorophenyl)-N-hydroxymethanesulfonamide
CID 118238808
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide?
The IUPAC name of N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide (CID 86744742) is N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide is CN(C=O)c1cc(F)ccc1C(=O)CS(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide?
The InChIKey is XRMUHYGBXIARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-13(7-14)10-5-8(12)3-4-9(10)11(15)6-18(2,16)17/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide?
N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide has a molecular weight of 273.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide is sourced from PubChem (CID 86744742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).