N-butyl-2-(2-fluorophenyl)sulfonylacetamide

C12H16FNO3S — CID 47148223

IUPACN-butyl-2-(2-fluorophenyl)sulfonylacetamide
SMILESCCCCNC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c1-2-3-8-14-12(15)9-18(16,17)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyGZRIGNFHFMZGIG-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.52
Rot. Bonds6

About N-butyl-2-(2-fluorophenyl)sulfonylacetamide

N-butyl-2-(2-fluorophenyl)sulfonylacetamide (PubChem CID 47148223) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-butyl-2-(2-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-fluorophenyl)sulfonylacetamide
PubChem CID47148223
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-butyl-2-(2-fluorophenyl)sulfonylacetamide
SMILESCCCCNC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c1-2-3-8-14-12(15)9-18(16,17)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyGZRIGNFHFMZGIG-UHFFFAOYSA-N
XLogP1.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-(2-fluorophenyl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
CID 75466349
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 61486233
N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
CID 18289830
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
1-[2-(2-fluorophenyl)sulfonylethyl]-2-methyl-3-propylguanidine
CID 111578322
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
1-[2-(2-fluorophenyl)sulfonylethyl]-2-octylguanidine;hydroiodide
CID 111813043

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-butyl-2-(2-fluorophenyl)sulfonylacetamide (CID 47148223) is N-butyl-2-(2-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-butyl-2-(2-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-butyl-2-(2-fluorophenyl)sulfonylacetamide is CCCCNC(=O)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-butyl-2-(2-fluorophenyl)sulfonylacetamide?
The InChIKey is GZRIGNFHFMZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-2-3-8-14-12(15)9-18(16,17)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-(2-fluorophenyl)sulfonylacetamide?
N-butyl-2-(2-fluorophenyl)sulfonylacetamide has a molecular weight of 273.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 47148223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).