[4-(trifluoromethyl)phenyl] sulfamate

C7H6F3NO3S — CID 11806775

IUPAC[4-(trifluoromethyl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)5-1-3-6(4-2-5)14-15(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyGAQDSBGIBYHVQU-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.29
Rot. Bonds2

About [4-(trifluoromethyl)phenyl] sulfamate

[4-(trifluoromethyl)phenyl] sulfamate (PubChem CID 11806775) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] sulfamate
PubChem CID11806775
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name[4-(trifluoromethyl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)5-1-3-6(4-2-5)14-15(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyGAQDSBGIBYHVQU-UHFFFAOYSA-N
XLogP1.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] sulfamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] sulfamate (CID 11806775) is [4-(trifluoromethyl)phenyl] sulfamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] sulfamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] sulfamate?
The InChIKey is GAQDSBGIBYHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-7(9,10)5-1-3-6(4-2-5)14-15(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of [4-(trifluoromethyl)phenyl] sulfamate?
[4-(trifluoromethyl)phenyl] sulfamate has a molecular weight of 241.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] sulfamate is sourced from PubChem (CID 11806775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).