N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide

C12H13FN2O3S — CID 126840764

IUPACN-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CC=CC2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-9(16)14-12-8-10(4-5-11(12)13)19(17,18)15-6-2-3-7-15/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyDZMRDFYLERHDHQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.34
Rot. Bonds3

About N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide

N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide (PubChem CID 126840764) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
PubChem CID126840764
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CC=CC2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-9(16)14-12-8-10(4-5-11(12)13)19(17,18)15-6-2-3-7-15/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKeyDZMRDFYLERHDHQ-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-(3-acetamido-4-fluorophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103977
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
N-[5-(2-azabicyclo[4.1.0]heptan-2-ylsulfonyl)-2-fluorophenyl]acetamide
CID 126826986
N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide
CID 146469075
N-[5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-2-fluorophenyl]acetamide
CID 120719668
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119960343
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide (CID 126840764) is N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CC=CC2)ccc1F.
What is the InChIKey of N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide?
The InChIKey is DZMRDFYLERHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-9(16)14-12-8-10(4-5-11(12)13)19(17,18)15-6-2-3-7-15/h2-5,8H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide?
N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide has a molecular weight of 284.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 126840764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).