2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide

C15H10F5NO3S — CID 54033218

IUPAC2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide
SMILESCC=Cc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C15H10F5NO3S/c1-2-3-7-4-5-8(6-9(7)22)21-25(23,24)15-13(19)11(17)10(16)12(18)14(15)20/h2-6,21-22H,1H3
InChIKeyLHBVUBQHECBQIJ-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.92
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide (PubChem CID 54033218) has the molecular formula C15H10F5NO3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide
PubChem CID54033218
Molecular FormulaC15H10F5NO3S
Molecular Weight379.31 g/mol
Exact Mass379.03
IUPAC Name2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide
SMILESCC=Cc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O
InChIInChI=1S/C15H10F5NO3S/c1-2-3-7-4-5-8(6-9(7)22)21-25(23,24)15-13(19)11(17)10(16)12(18)14(15)20/h2-6,21-22H,1H3
InChIKeyLHBVUBQHECBQIJ-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.92
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'}

Analyze 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide 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 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide (CID 54033218) is 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide is CC=Cc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide?
The InChIKey is LHBVUBQHECBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO3S/c1-2-3-7-4-5-8(6-9(7)22)21-25(23,24)15-13(19)11(17)10(16)12(18)14(15)20/h2-6,21-22H,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide has a molecular weight of 379.31 g/mol, XLogP of 3.92, 4 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-(3-hydroxy-4-prop-1-enylphenyl)benzenesulfonamide is sourced from PubChem (CID 54033218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).