N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide

C12H12FNO3S — CID 123303145

IUPACN-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide
SMILESC=CC(=C)N(C(C)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3S/c1-4-9(2)14(10(3)15)18(16,17)12-7-5-11(13)6-8-12/h4-8H,1-2H2,3H3
InChIKeyDIJKHIFNCWFPOA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.06
Rot. Bonds4

About N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide

N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide (PubChem CID 123303145) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide
PubChem CID123303145
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC NameN-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide
SMILESC=CC(=C)N(C(C)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3S/c1-4-9(2)14(10(3)15)18(16,17)12-7-5-11(13)6-8-12/h4-8H,1-2H2,3H3
InChIKeyDIJKHIFNCWFPOA-UHFFFAOYSA-N
XLogP2.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-buta-1,3-dien-2-yl-N-(4-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

N-(4-fluorophenyl)sulfonyl-N-methylacetamide
CID 117758285
1-(4-Fluorophenyl)sulfonyl-5-methylidenepyrrolidin-2-one
CID 139048110
N-(benzenesulfonyl)-N-prop-2-enylacetamide
CID 85692977
N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide
CID 15746540
N-(2-fluorophenyl)sulfonylpropanamide
CID 17856569
N-(4-fluorophenyl)sulfonylacetamide
CID 47268948
N-(2-fluorophenyl)sulfonylacetamide
CID 47270752
N-(3-fluorophenyl)sulfonylacetamide
CID 70960306
4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide
CID 123338582
N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide
CID 142025371
N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 168810785
N-(benzenesulfonyl)-N-(2,2-difluoroethyl)acetamide
CID 169955398

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide (CID 123303145) is N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide is C=CC(=C)N(C(C)=O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is DIJKHIFNCWFPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-4-9(2)14(10(3)15)18(16,17)12-7-5-11(13)6-8-12/h4-8H,1-2H2,3H3.
What are the key properties of N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide?
N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 269.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 123303145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).