2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide

C12H12FN3O3S — CID 63239304

IUPAC2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESN#Cc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H12FN3O3S/c13-11-4-3-10(5-8(11)6-14)20(18,19)15-7-12(17)16-9-1-2-9/h3-5,9,15H,1-2,7H2,(H,16,17)
InChIKeyWOMUXUUMSSBRJE-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.25
Rot. Bonds5

About 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide

2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 63239304) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID63239304
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESN#Cc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H12FN3O3S/c13-11-4-3-10(5-8(11)6-14)20(18,19)15-7-12(17)16-9-1-2-9/h3-5,9,15H,1-2,7H2,(H,16,17)
InChIKeyWOMUXUUMSSBRJE-UHFFFAOYSA-N
XLogP0.25
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
3-cyano-4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616452
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
3-cyano-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455060
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172413
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 63239212

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (CID 63239304) is 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide is N#Cc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1F.
What is the InChIKey of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is WOMUXUUMSSBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-11-4-3-10(5-8(11)6-14)20(18,19)15-7-12(17)16-9-1-2-9/h3-5,9,15H,1-2,7H2,(H,16,17).
What are the key properties of 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 297.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 63239304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).