2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide

C11H15FN2O3S — CID 81183009

IUPAC2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H15FN2O3S/c1-2-5-14-11(15)7-18(16,17)10-6-8(12)3-4-9(10)13/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyIPXVDIHZAQSIGA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.71
Rot. Bonds5

About 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide

2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide (PubChem CID 81183009) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
PubChem CID81183009
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H15FN2O3S/c1-2-5-14-11(15)7-18(16,17)10-6-8(12)3-4-9(10)13/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyIPXVDIHZAQSIGA-UHFFFAOYSA-N
XLogP0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.71
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-N-methylacetamide
CID 81182916
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
4-fluoro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81183095
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
4-fluoro-2-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192768

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide (CID 81183009) is 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide?
The InChIKey is IPXVDIHZAQSIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-2-5-14-11(15)7-18(16,17)10-6-8(12)3-4-9(10)13/h3-4,6H,2,5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide?
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.71, 5 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-N-propylacetamide is sourced from PubChem (CID 81183009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).