2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide

C6H3F4NO2S2 — CID 90102383

IUPAC2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C6H3F4NO2S2/c7-1-3(9)6(15(11,12)13)4(10)2(8)5(1)14/h14H,(H2,11,12,13)
InChIKeySFMASQILKFJDKO-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.18
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide

2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide (PubChem CID 90102383) has the molecular formula C6H3F4NO2S2 and a molecular weight of 261.22 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide
PubChem CID90102383
Molecular FormulaC6H3F4NO2S2
Molecular Weight261.22 g/mol
Exact Mass260.95
IUPAC Name2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C6H3F4NO2S2/c7-1-3(9)6(15(11,12)13)4(10)2(8)5(1)14/h14H,(H2,11,12,13)
InChIKeySFMASQILKFJDKO-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide (CID 90102383) is 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(S)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide?
The InChIKey is SFMASQILKFJDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO2S2/c7-1-3(9)6(15(11,12)13)4(10)2(8)5(1)14/h14H,(H2,11,12,13).
What are the key properties of 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide?
2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonamide has a molecular weight of 261.22 g/mol, XLogP of 1.18, 1 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-4-sulfanylbenzenesulfonamide is sourced from PubChem (CID 90102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).