(2,3,5,6-tetrafluorophenyl) sulfamate

C6H3F4NO3S — CID 44622856

IUPAC(2,3,5,6-tetrafluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4NO3S/c7-2-1-3(8)5(10)6(4(2)9)14-15(11,12)13/h1H,(H2,11,12,13)
InChIKeyGJRYISMGNCAFKK-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.83
Rot. Bonds2

About (2,3,5,6-tetrafluorophenyl) sulfamate

(2,3,5,6-tetrafluorophenyl) sulfamate (PubChem CID 44622856) has the molecular formula C6H3F4NO3S and a molecular weight of 245.15 g/mol. Its IUPAC name is (2,3,5,6-tetrafluorophenyl) sulfamate.

Molecular Properties

Compound Name(2,3,5,6-tetrafluorophenyl) sulfamate
PubChem CID44622856
Molecular FormulaC6H3F4NO3S
Molecular Weight245.15 g/mol
Exact Mass244.98
IUPAC Name(2,3,5,6-tetrafluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4NO3S/c7-2-1-3(8)5(10)6(4(2)9)14-15(11,12)13/h1H,(H2,11,12,13)
InChIKeyGJRYISMGNCAFKK-UHFFFAOYSA-N
XLogP0.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenylsulfamate
CID 11030308
2,3,4,5,6-Pentafluorophenyl sulfamate
CID 11021701
2,4-Difluorophenyl sulfamate
CID 23161084
4-Fluorophenyl Sulfamate
CID 44459223
2,6-Difluorophenyl sulfamate
CID 46882999
3,5-Difluorophenyl sulfamate
CID 46883000
2,5-Difluorophenyl sulfamate
CID 46882979
3,4-Difluorophenyl sulfamate
CID 46883001
2,4,6-Trifluorophenyl sulfamate
CID 46883002
2,3,4-Trifluorophenyl sulfamate
CID 46883003
2,3,6-Trifluorophenyl sulfamate
CID 46883004
2,4-Difluorophenyl trifluoromethanesulphonate
CID 15440799

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluorophenyl) sulfamate?
The IUPAC name of (2,3,5,6-tetrafluorophenyl) sulfamate (CID 44622856) is (2,3,5,6-tetrafluorophenyl) sulfamate.
What is the SMILES notation for (2,3,5,6-tetrafluorophenyl) sulfamate?
The canonical SMILES for (2,3,5,6-tetrafluorophenyl) sulfamate is NS(=O)(=O)Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluorophenyl) sulfamate?
The InChIKey is GJRYISMGNCAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO3S/c7-2-1-3(8)5(10)6(4(2)9)14-15(11,12)13/h1H,(H2,11,12,13).
What are the key properties of (2,3,5,6-tetrafluorophenyl) sulfamate?
(2,3,5,6-tetrafluorophenyl) sulfamate has a molecular weight of 245.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluorophenyl) sulfamate is sourced from PubChem (CID 44622856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).