2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide

C6H2F5NO3S — CID 23645547

IUPAC2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)16(14,15)12-13/h12-13H
InChIKeyFPJLTHNGOJRXMU-UHFFFAOYSA-N
MW263.14 g/mol
LogP1.05
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide

2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide (PubChem CID 23645547) has the molecular formula C6H2F5NO3S and a molecular weight of 263.14 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide
PubChem CID23645547
Molecular FormulaC6H2F5NO3S
Molecular Weight263.14 g/mol
Exact Mass262.97
IUPAC Name2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)16(14,15)12-13/h12-13H
InChIKeyFPJLTHNGOJRXMU-UHFFFAOYSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide (CID 23645547) is 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide is O=S(=O)(NO)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide?
The InChIKey is FPJLTHNGOJRXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)16(14,15)12-13/h12-13H.
What are the key properties of 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide?
2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide has a molecular weight of 263.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 23645547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).