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

C13H10F4N2O4S2 — CID 11292444

IUPAC2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21)
InChIKeyVEJNSCPITNXOAI-UHFFFAOYSA-N
MW398.36 g/mol
LogP1.37
Rot. Bonds5

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

2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 11292444) has the molecular formula C13H10F4N2O4S2 and a molecular weight of 398.36 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID11292444
Molecular FormulaC13H10F4N2O4S2
Molecular Weight398.36 g/mol
Exact Mass398.00
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21)
InChIKeyVEJNSCPITNXOAI-UHFFFAOYSA-N
XLogP1.37
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 11292444) is 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is VEJNSCPITNXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 398.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 11292444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).