(2,3,4,5,6-pentafluorophenyl) sulfamate

C6H2F5NO3S — CID 11021701

IUPAC(2,3,4,5,6-pentafluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H2,12,13,14)
InChIKeyRTFOKBBERJXJKR-UHFFFAOYSA-N
MW263.14 g/mol
LogP0.96
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl) sulfamate

(2,3,4,5,6-pentafluorophenyl) sulfamate (PubChem CID 11021701) has the molecular formula C6H2F5NO3S and a molecular weight of 263.14 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) sulfamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) sulfamate
PubChem CID11021701
Molecular FormulaC6H2F5NO3S
Molecular Weight263.14 g/mol
Exact Mass262.97
IUPAC Name(2,3,4,5,6-pentafluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H2,12,13,14)
InChIKeyRTFOKBBERJXJKR-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
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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Related Compounds

2,4-Difluorophenyl sulfamate
CID 23161084
2,6-Difluorophenyl sulfamate
CID 46882999
3,5-Difluorophenyl sulfamate
CID 46883000
Pentafluorophenyl Trifluoromethanesulfonate
CID 10041425
2,3,5,6-Tetrafluorophenyl sulfamate
CID 44622856
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
Perfluorophenyl methanesulfonate
CID 2783233
Bis(perfluorophenyl) sulfite
CID 13341016

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) sulfamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) sulfamate (CID 11021701) is (2,3,4,5,6-pentafluorophenyl) sulfamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) sulfamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) sulfamate is NS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) sulfamate?
The InChIKey is RTFOKBBERJXJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H2,12,13,14).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) sulfamate?
(2,3,4,5,6-pentafluorophenyl) sulfamate has a molecular weight of 263.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) sulfamate is sourced from PubChem (CID 11021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).