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

C13H19FN2O3S — CID 103805299

IUPACN-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-2-3-4-7-20(18,19)9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyBWJPGPZZEVTFFW-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.95
Rot. Bonds7

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

N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide (PubChem CID 103805299) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
PubChem CID103805299
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-2-3-4-7-20(18,19)9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyBWJPGPZZEVTFFW-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
CID 107751430
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-3-(3-methoxypropylsulfonyl)propanamide
CID 63857581
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide (CID 103805299) is N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide is CCCCCS(=O)(=O)CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide?
The InChIKey is BWJPGPZZEVTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-2-3-4-7-20(18,19)9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide?
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.95, 7 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-pentylsulfonylacetamide is sourced from PubChem (CID 103805299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).