2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide

C15H10F5NO3S — CID 87938631

IUPAC2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide
SMILESC/C=C\c1ccc(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/b3-2-
InChIKeyLHBVUBQHECBQIJ-IHWYPQMZSA-N
MW379.31 g/mol
LogP3.92
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide

2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide (PubChem CID 87938631) 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-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide
PubChem CID87938631
Molecular FormulaC15H10F5NO3S
Molecular Weight379.31 g/mol
Exact Mass379.03
IUPAC Name2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide
SMILESC/C=C\c1ccc(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/b3-2-
InChIKeyLHBVUBQHECBQIJ-IHWYPQMZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide (CID 87938631) is 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide is C/C=C\c1ccc(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-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide?
The InChIKey is LHBVUBQHECBQIJ-IHWYPQMZSA-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/b3-2-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-[3-hydroxy-4-[(Z)-prop-1-enyl]phenyl]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-[(Z)-prop-1-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 87938631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).