2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide

C13H8F4N2O3S — CID 10383098

IUPAC2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
InChIKeyVNJRKOFATHWJBJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.14
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide

2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide (PubChem CID 10383098) has the molecular formula C13H8F4N2O3S and a molecular weight of 348.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
PubChem CID10383098
Molecular FormulaC13H8F4N2O3S
Molecular Weight348.28 g/mol
Exact Mass348.02
IUPAC Name2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
InChIKeyVNJRKOFATHWJBJ-UHFFFAOYSA-N
XLogP2.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide (CID 10383098) is 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is VNJRKOFATHWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide?
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 348.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).