3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide

C11H16FN3O3S — CID 116791774

IUPAC3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(6-10(7)13)19(17,18)15-4-3-11(16)14-2/h5-6,15H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyQJMGXGQGQGYOAI-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.13
Rot. Bonds5

About 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide

3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 116791774) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID116791774
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(6-10(7)13)19(17,18)15-4-3-11(16)14-2/h5-6,15H,3-4,13H2,1-2H3,(H,14,16)
InChIKeyQJMGXGQGQGYOAI-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-amino-5-fluoro-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159871

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide (CID 116791774) is 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is QJMGXGQGQGYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7-9(12)5-8(6-10(7)13)19(17,18)15-4-3-11(16)14-2/h5-6,15H,3-4,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide?
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 116791774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).