N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide

C16H18F2N2O2S — CID 3377300

IUPACN-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyGJCVQXMMBVRJAZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.61
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide

N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 3377300) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID3377300
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyGJCVQXMMBVRJAZ-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide 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-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 166200999
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide (CID 3377300) is N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GJCVQXMMBVRJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-10-5-12(17)11-15(16)18/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3377300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).