2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide

C9H10FN3O5S — CID 112686222

IUPAC2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O5S/c1-12(5-8(11)14)19(17,18)7-4-2-3-6(10)9(7)13(15)16/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyYCFXYLKGLMVMLB-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide

2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide (PubChem CID 112686222) has the molecular formula C9H10FN3O5S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide
PubChem CID112686222
Molecular FormulaC9H10FN3O5S
Molecular Weight291.26 g/mol
Exact Mass291.03
IUPAC Name2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O5S/c1-12(5-8(11)14)19(17,18)7-4-2-3-6(10)9(7)13(15)16/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyYCFXYLKGLMVMLB-UHFFFAOYSA-N
XLogP-0.16
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115589530
3-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 115596412
methyl 3-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]propanoate
CID 115589541
N-butyl-3-fluoro-N-methyl-2-nitrobenzenesulfonamide
CID 112686204
3-fluoro-N-(5-hydroxypentyl)-N-methyl-2-nitrobenzenesulfonamide
CID 107199107
2-(N-methyl-3-methylsulfonyl-2-nitroanilino)acetamide
CID 133393473
2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 107343162
N,N-bis(2-chloroethyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993134
3-fluoro-N-(3-hydroxypropyl)-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 115992192
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675307
3-amino-N-(2,2-dimethylpropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 115993546

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide (CID 112686222) is 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YCFXYLKGLMVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O5S/c1-12(5-8(11)14)19(17,18)7-4-2-3-6(10)9(7)13(15)16/h2-4H,5H2,1H3,(H2,11,14).
What are the key properties of 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide?
2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 291.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 112686222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).