N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide

C14H10F5NO2S — CID 15547867

IUPACN-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1C
InChIInChI=1S/C14H10F5NO2S/c1-6-3-4-8(5-7(6)2)20-23(21,22)14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3
InChIKeyRCDXIXKNGGDIKM-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.80
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide

N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 15547867) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID15547867
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC NameN-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1C
InChIInChI=1S/C14H10F5NO2S/c1-6-3-4-8(5-7(6)2)20-23(21,22)14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3
InChIKeyRCDXIXKNGGDIKM-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide 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 N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 15547867) is N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is RCDXIXKNGGDIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c1-6-3-4-8(5-7(6)2)20-23(21,22)14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 15547867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).