3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide

C12H18FN3O3S — CID 106274893

IUPAC3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18FN3O3S/c1-7-9(13)4-8(14)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyMADJYKWBGFYJTC-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.51
Rot. Bonds5

About 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide

3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274893) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274893
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18FN3O3S/c1-7-9(13)4-8(14)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17)
InChIKeyMADJYKWBGFYJTC-UHFFFAOYSA-N
XLogP0.51
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.51
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-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139792
4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274893) is 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is Cc1c(F)cc(N)cc1S(=O)(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is MADJYKWBGFYJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-7-9(13)4-8(14)5-10(7)20(18,19)16-6-12(2,3)11(15)17/h4-5,16H,6,14H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).