2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide

C14H12F4N2O3S — CID 71584330

IUPAC2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23)
InChIKeyDBTMJCTWNCXRQA-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.25
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide

2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide (PubChem CID 71584330) has the molecular formula C14H12F4N2O3S and a molecular weight of 364.32 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide
PubChem CID71584330
Molecular FormulaC14H12F4N2O3S
Molecular Weight364.32 g/mol
Exact Mass364.05
IUPAC Name2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
InChIInChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23)
InChIKeyDBTMJCTWNCXRQA-UHFFFAOYSA-N
XLogP2.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.25
H-Bond Donors ≤ 53
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-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide (CID 71584330) is 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide?
The InChIKey is DBTMJCTWNCXRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(16)13(9)20-6-5-7-1-3-8(21)4-2-7/h1-4,20-21H,5-6H2,(H2,19,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide?
2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide has a molecular weight of 364.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 71584330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).