N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide

C16H18F2N2O2S — CID 9234931

IUPACN-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-11-12(17)5-10-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyKYKWQCNKWMPJJP-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.61
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide

N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 9234931) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID9234931
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-3-20(4-2)14-8-6-13(7-9-14)19-23(21,22)16-11-12(17)5-10-15(16)18/h5-11,19H,3-4H2,1-2H3
InChIKeyKYKWQCNKWMPJJP-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]-2,5-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]-2,4-difluorobenzenesulfonamide
CID 3377300
2-(diethylamino)-5-[(2,5-difluorophenyl)sulfonylamino]benzoic acid
CID 50766693
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3935169

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide (CID 9234931) is N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KYKWQCNKWMPJJP-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)16-11-12(17)5-10-15(16)18/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide?
N-[4-(diethylamino)phenyl]-2,5-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]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 9234931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).