2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide

C9H11F2N3O3S — CID 107343162

IUPAC2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C9H11F2N3O3S/c1-14(4-7(12)15)18(16,17)6-3-2-5(10)9(13)8(6)11/h2-3H,4,13H2,1H3,(H2,12,15)
InChIKeyIJXPGXIOKDMWHQ-UHFFFAOYSA-N
MW279.27 g/mol
LogP-0.35
Rot. Bonds4

About 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide

2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 107343162) has the molecular formula C9H11F2N3O3S and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID107343162
Molecular FormulaC9H11F2N3O3S
Molecular Weight279.27 g/mol
Exact Mass279.05
IUPAC Name2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C9H11F2N3O3S/c1-14(4-7(12)15)18(16,17)6-3-2-5(10)9(13)8(6)11/h2-3H,4,13H2,1H3,(H2,12,15)
InChIKeyIJXPGXIOKDMWHQ-UHFFFAOYSA-N
XLogP-0.35
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-0.35
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

3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
3-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 107343380
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
3-amino-4-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 81471119
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 114378855
2-[(3-fluoro-2-nitrophenyl)sulfonyl-methylamino]acetamide
CID 112686222
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 64900206
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
2-(3-amino-2,4-difluorophenyl)sulfonylguanidine
CID 107343914
3-amino-2,4-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 107343425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide (CID 107343162) is 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is IJXPGXIOKDMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3S/c1-14(4-7(12)15)18(16,17)6-3-2-5(10)9(13)8(6)11/h2-3H,4,13H2,1H3,(H2,12,15).
What are the key properties of 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide?
2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 279.27 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 107343162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).