2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide

C11H16FN3O3S — CID 79896658

IUPAC2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C11H16FN3O3S/c1-6-9(12)4-8(13)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16)
InChIKeyBYJRCKUOGRWGOT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.13
Rot. Bonds4

About 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide

2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 79896658) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID79896658
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C11H16FN3O3S/c1-6-9(12)4-8(13)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16)
InChIKeyBYJRCKUOGRWGOT-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
methyl 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonylamino]propanoate
CID 80646487
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide (CID 79896658) is 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is BYJRCKUOGRWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-6-9(12)4-8(13)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 79896658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).