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

C11H12FN3O3S — CID 60843766

IUPAC2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
SMILESNCC#Cc1cc(F)ccc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C11H12FN3O3S/c12-9-3-4-10(8(6-9)2-1-5-13)19(17,18)15-7-11(14)16/h3-4,6,15H,5,7,13H2,(H2,14,16)
InChIKeyUDXFYKICVQLPBQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.10
Rot. Bonds4

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

2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide (PubChem CID 60843766) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
PubChem CID60843766
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
SMILESNCC#Cc1cc(F)ccc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C11H12FN3O3S/c12-9-3-4-10(8(6-9)2-1-5-13)19(17,18)15-7-11(14)16/h3-4,6,15H,5,7,13H2,(H2,14,16)
InChIKeyUDXFYKICVQLPBQ-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-(3-aminoprop-1-ynyl)-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61167092
2-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]sulfonylamino]acetamide
CID 116529248
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]propanamide
CID 60845886
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
methyl 2-[[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60824282
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687486
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 103064513
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(3-aminoprop-1-ynyl)-4-fluorobenzamide
CID 106098217
4-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863801
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
methyl 2-[[2-(3-aminoprop-1-ynyl)-4,6-difluorophenyl]sulfonylamino]acetate
CID 60843938

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide (CID 60843766) is 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide is NCC#Cc1cc(F)ccc1S(=O)(=O)NCC(N)=O.
What is the InChIKey of 2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide?
The InChIKey is UDXFYKICVQLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c12-9-3-4-10(8(6-9)2-1-5-13)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-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide?
2-[[2-(3-aminoprop-1-ynyl)-4-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-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide is sourced from PubChem (CID 60843766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).