2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide

C11H12FN3O3S — CID 116529248

IUPAC2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCC(N)=O)c(F)c1
InChIInChI=1S/C11H12FN3O3S/c12-9-6-8(2-1-5-13)3-4-10(9)19(17,18)15-7-11(14)16/h3-4,6,15H,5,7,13H2,(H2,14,16)
InChIKeyQIXDWZJGLMZKOS-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.10
Rot. Bonds4

About 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide

2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide (PubChem CID 116529248) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide
PubChem CID116529248
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCC(N)=O)c(F)c1
InChIInChI=1S/C11H12FN3O3S/c12-9-6-8(2-1-5-13)3-4-10(9)19(17,18)15-7-11(14)16/h3-4,6,15H,5,7,13H2,(H2,14,16)
InChIKeyQIXDWZJGLMZKOS-UHFFFAOYSA-N
XLogP-1.10
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]ethylurea
CID 116529603
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 116529303
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
CID 60843766
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103464034
methyl 2-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 116528933
2-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-methylacetamide
CID 116528980
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 116529485
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 116529228
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
CID 60814279
N-(2,2-dimethylpropyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 116529048
2-[[4-(3-aminoprop-1-ynyl)-2-chlorophenyl]sulfonylamino]-N-ethylacetamide
CID 60845347
4-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 116529477

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide (CID 116529248) is 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide is NCC#Cc1ccc(S(=O)(=O)NCC(N)=O)c(F)c1.
What is the InChIKey of 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide?
The InChIKey is QIXDWZJGLMZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c12-9-6-8(2-1-5-13)3-4-10(9)19(17,18)15-7-11(14)16/h3-4,6,15H,5,7,13H2,(H2,14,16).
What are the key properties of 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide?
2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide has a molecular weight of 285.30 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide is sourced from PubChem (CID 116529248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).