2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

C11H16FN3O3S — CID 116791482

IUPAC2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)4-8(5-10(7)13)19(17,18)15(3)6-11(16)14-2/h4-5H,6,13H2,1-3H3,(H,14,16)
InChIKeyJLIFIBVIDIBCRX-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.08
Rot. Bonds4

About 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 116791482) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID116791482
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)4-8(5-10(7)13)19(17,18)15(3)6-11(16)14-2/h4-5H,6,13H2,1-3H3,(H,14,16)
InChIKeyJLIFIBVIDIBCRX-UHFFFAOYSA-N
XLogP0.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
methyl 4-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]butanoate
CID 116791607
3-amino-5-fluoro-N,N,4-trimethylbenzenesulfonamide
CID 116791384
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
3-amino-5-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzenesulfonamide
CID 116792317
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
3-amino-5-fluoro-N,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116791517
3-amino-5-fluoro-4-methyl-N,N-dipropylbenzenesulfonamide
CID 116791316
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
3,4-difluoro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 105112021

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 116791482) is 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is JLIFIBVIDIBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7-9(12)4-8(5-10(7)13)19(17,18)15(3)6-11(16)14-2/h4-5H,6,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 289.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 116791482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).