2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C13H9F5N2O4S2 — CID 10573928

IUPAC2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H9F5N2O4S2/c14-8-9(15)11(17)13(12(18)10(8)16)26(23,24)20-5-6-1-3-7(4-2-6)25(19,21)22/h1-4,20H,5H2,(H2,19,21,22)
InChIKeyFBGDRKTVYUWHBZ-UHFFFAOYSA-N
MW416.35 g/mol
LogP1.51
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 10573928) has the molecular formula C13H9F5N2O4S2 and a molecular weight of 416.35 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID10573928
Molecular FormulaC13H9F5N2O4S2
Molecular Weight416.35 g/mol
Exact Mass415.99
IUPAC Name2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H9F5N2O4S2/c14-8-9(15)11(17)13(12(18)10(8)16)26(23,24)20-5-6-1-3-7(4-2-6)25(19,21)22/h1-4,20H,5H2,(H2,19,21,22)
InChIKeyFBGDRKTVYUWHBZ-UHFFFAOYSA-N
XLogP1.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]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

Mafenide
CID 3998
Mafenide Hydrochloride
CID 67313
p-Toluenesulfonamide, N-benzyl-
CID 95801
Benzenesulfonamide, N-benzyl-
CID 95236
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(phenylmethyl)-
CID 109962
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811
4-(Benzenesulfonamidomethyl)benzene-1-sulfonamide
CID 724642
4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
4-[2-(Nonafluorobutane-1-sulfonylamino)-ethyl]-benzenesulfonamide
CID 4070422
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
Aromatic/heteroaromatic sulfonamide 34
CID 1378039
F0898-0216
CID 677607

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 10573928) is 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is FBGDRKTVYUWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O4S2/c14-8-9(15)11(17)13(12(18)10(8)16)26(23,24)20-5-6-1-3-7(4-2-6)25(19,21)22/h1-4,20H,5H2,(H2,19,21,22).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 416.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 10573928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).