3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide

C13H12F2N2O2S — CID 43604154

IUPAC3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H12F2N2O2S/c1-16-11-2-4-12(5-3-11)17-20(18,19)13-7-9(14)6-10(15)8-13/h2-8,16-17H,1H3
InChIKeyVVTXDKFLARILNJ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.81
Rot. Bonds4

About 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide

3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide (PubChem CID 43604154) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
PubChem CID43604154
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
SMILESCNc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H12F2N2O2S/c1-16-11-2-4-12(5-3-11)17-20(18,19)13-7-9(14)6-10(15)8-13/h2-8,16-17H,1H3
InChIKeyVVTXDKFLARILNJ-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-[4-(methylamino)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-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
CID 63322274
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide (CID 43604154) is 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide is CNc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
The InChIKey is VVTXDKFLARILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-16-11-2-4-12(5-3-11)17-20(18,19)13-7-9(14)6-10(15)8-13/h2-8,16-17H,1H3.
What are the key properties of 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide?
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 43604154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).