3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide

C12H16F2N2O3S — CID 24539448

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-8(2)16-12(17)5-6-15-20(18,19)9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPMANINQCOPXTEV-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.16
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 24539448) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID24539448
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-8(2)16-12(17)5-6-15-20(18,19)9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyPMANINQCOPXTEV-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide 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

3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 43011602
3-[(3,4-difluorophenyl)sulfonylamino]-N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
CID 55976936
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46524136
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
CID 60574443

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide (CID 24539448) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is PMANINQCOPXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-8(2)16-12(17)5-6-15-20(18,19)9-3-4-10(13)11(14)7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 306.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 24539448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).