2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide

C12H18FN3O3S — CID 61105509

IUPAC2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H18FN3O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyMVGDJOABUNPXIF-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.68
Rot. Bonds7

About 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide

2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide (PubChem CID 61105509) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
PubChem CID61105509
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H18FN3O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyMVGDJOABUNPXIF-UHFFFAOYSA-N
XLogP0.68
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
CID 61072716
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide?
The IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide (CID 61105509) is 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide?
The canonical SMILES for 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide?
The InChIKey is MVGDJOABUNPXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7H,2-3,6,8,14H2,1H3,(H2,15,17).
What are the key properties of 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide?
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide is sourced from PubChem (CID 61105509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).