2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide

C8H7F4NO3S — CID 155578494

IUPAC2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(O)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F4NO3S/c1-13(2)17(15,16)8-6(12)4(10)3(9)5(11)7(8)14/h14H,1-2H3
InChIKeyVXMYUVMLHDEXGS-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.20
Rot. Bonds2

About 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide

2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide (PubChem CID 155578494) has the molecular formula C8H7F4NO3S and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide
PubChem CID155578494
Molecular FormulaC8H7F4NO3S
Molecular Weight273.21 g/mol
Exact Mass273.01
IUPAC Name2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(O)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F4NO3S/c1-13(2)17(15,16)8-6(12)4(10)3(9)5(11)7(8)14/h14H,1-2H3
InChIKeyVXMYUVMLHDEXGS-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide 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 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide (CID 155578494) is 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1c(O)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is VXMYUVMLHDEXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO3S/c1-13(2)17(15,16)8-6(12)4(10)3(9)5(11)7(8)14/h14H,1-2H3.
What are the key properties of 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide?
2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 273.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-hydroxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 155578494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).