2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide

C13H18F2N2O3S — CID 61368809

IUPAC2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-7(2)6-17-13(18)8(3)21(19,20)12-10(14)4-9(16)5-11(12)15/h4-5,7-8H,6,16H2,1-3H3,(H,17,18)
InChIKeyYMPWEESRSALFMP-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide

2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide (PubChem CID 61368809) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
PubChem CID61368809
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-7(2)6-17-13(18)8(3)21(19,20)12-10(14)4-9(16)5-11(12)15/h4-5,7-8H,6,16H2,1-3H3,(H,17,18)
InChIKeyYMPWEESRSALFMP-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide 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-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81182888
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide
CID 47155894
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate
CID 103297907
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 107650371
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide
CID 122144711
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide (CID 61368809) is 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
The InChIKey is YMPWEESRSALFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-7(2)6-17-13(18)8(3)21(19,20)12-10(14)4-9(16)5-11(12)15/h4-5,7-8H,6,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide?
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide has a molecular weight of 320.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 61368809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).