N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide

C10H12FNO3S — CID 118224639

IUPACN-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)cccc1S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(13)12(2)10-8(11)5-4-6-9(10)16(3,14)15/h4-6H,1-3H3
InChIKeyRDXAMTCLGJRVBQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.21
Rot. Bonds2

About N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide

N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide (PubChem CID 118224639) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide
PubChem CID118224639
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)cccc1S(C)(=O)=O
InChIInChI=1S/C10H12FNO3S/c1-7(13)12(2)10-8(11)5-4-6-9(10)16(3,14)15/h4-6H,1-3H3
InChIKeyRDXAMTCLGJRVBQ-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)acetohydrazide
CID 54144857
3-(2-fluoro-6-methylsulfonylphenyl)propanoic acid
CID 117367420
1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol
CID 117332324
2-(2-bromo-N-methyl-6-methylsulfonylanilino)acetic acid
CID 120965273
2-amino-N-(2,6-difluorophenyl)-N-methylacetamide
CID 28794668
[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 134499941
3-fluoro-4-methylsulfonylbenzenesulfonyl fluoride
CID 165459599
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
N-(2,6-difluorophenyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 123904260
3-(3-fluoro-2-methylsulfonylphenyl)-3-methylbutanoic acid
CID 117438209
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 71857615

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide (CID 118224639) is N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide is CC(=O)N(C)c1c(F)cccc1S(C)(=O)=O.
What is the InChIKey of N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide?
The InChIKey is RDXAMTCLGJRVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(13)12(2)10-8(11)5-4-6-9(10)16(3,14)15/h4-6H,1-3H3.
What are the key properties of N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide?
N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide has a molecular weight of 245.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide is sourced from PubChem (CID 118224639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).