N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide

C9H12F2N2O2S — CID 43550982

IUPACN-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyKLZYLFPBFHWHBO-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.70
Rot. Bonds4

About N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide

N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide (PubChem CID 43550982) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide
PubChem CID43550982
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyKLZYLFPBFHWHBO-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide (CID 43550982) is N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide?
The InChIKey is KLZYLFPBFHWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide?
N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 43550982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).