2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

C13H12F2N2O4S2 — CID 31073462

IUPAC2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-10-3-5-11(6-4-10)17-23(20,21)13-7-2-9(14)8-12(13)15/h2-8,16-17H,1H3
InChIKeyXSLKWVVDHZXYQF-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.14
Rot. Bonds5

About 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide

2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (PubChem CID 31073462) has the molecular formula C13H12F2N2O4S2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
PubChem CID31073462
Molecular FormulaC13H12F2N2O4S2
Molecular Weight362.38 g/mol
Exact Mass362.02
IUPAC Name2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-10-3-5-11(6-4-10)17-23(20,21)13-7-2-9(14)8-12(13)15/h2-8,16-17H,1H3
InChIKeyXSLKWVVDHZXYQF-UHFFFAOYSA-N
XLogP2.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide 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-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide (CID 31073462) is 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
The InChIKey is XSLKWVVDHZXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S2/c1-22(18,19)16-10-3-5-11(6-4-10)17-23(20,21)13-7-2-9(14)8-12(13)15/h2-8,16-17H,1H3.
What are the key properties of 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide?
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide is sourced from PubChem (CID 31073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).