2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide

C11H16FN3O3S — CID 116791519

IUPAC2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)6-15-19(17,18)8-4-9(12)7(2)10(13)5-8/h4-5,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyRHETWRRZNVWFGH-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.13
Rot. Bonds5

About 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide

2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 116791519) 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)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
PubChem CID116791519
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-3-14-11(16)6-15-19(17,18)8-4-9(12)7(2)10(13)5-8/h4-5,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyRHETWRRZNVWFGH-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

N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903345
2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 43566783

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide (CID 116791519) is 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is RHETWRRZNVWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-14-11(16)6-15-19(17,18)8-4-9(12)7(2)10(13)5-8/h4-5,15H,3,6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide?
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide 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 2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 116791519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).