2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide

C9H11FN2O3S — CID 81182916

IUPAC2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H11FN2O3S/c1-12-9(13)5-16(14,15)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyWIFOOUOOMAWBJZ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.07
Rot. Bonds3

About 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide

2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide (PubChem CID 81182916) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
PubChem CID81182916
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H11FN2O3S/c1-12-9(13)5-16(14,15)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyWIFOOUOOMAWBJZ-UHFFFAOYSA-N
XLogP-0.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
4-fluoro-2-(4-methylpentylsulfonyl)aniline
CID 83163308
4-fluoro-2-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192768
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
CID 114250018
4-fluoro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81183095
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide (CID 81182916) is 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide?
The InChIKey is WIFOOUOOMAWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-12-9(13)5-16(14,15)8-4-6(10)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide?
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide has a molecular weight of 246.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 81182916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).