N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide

C13H19FN2O3S — CID 43615880

IUPACN-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-4-7-20(18,19)9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyMKTNJLQVNCNZKB-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.95
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide

N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide (PubChem CID 43615880) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
PubChem CID43615880
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-4-7-20(18,19)9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyMKTNJLQVNCNZKB-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.95
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

N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107751503
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide (CID 43615880) is N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide is CCCCS(=O)(=O)C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide?
The InChIKey is MKTNJLQVNCNZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-4-7-20(18,19)9(2)13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide?
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide has a molecular weight of 302.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide is sourced from PubChem (CID 43615880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).