(3,4-difluorophenyl) sulfamate

C6H5F2NO3S — CID 46883001

IUPAC(3,4-difluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)c(F)c1
InChIInChI=1S/C6H5F2NO3S/c7-5-2-1-4(3-6(5)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFNXBBEVVYRCTON-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.55
Rot. Bonds2

About (3,4-difluorophenyl) sulfamate

(3,4-difluorophenyl) sulfamate (PubChem CID 46883001) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is (3,4-difluorophenyl) sulfamate.

Molecular Properties

Compound Name(3,4-difluorophenyl) sulfamate
PubChem CID46883001
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name(3,4-difluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)c(F)c1
InChIInChI=1S/C6H5F2NO3S/c7-5-2-1-4(3-6(5)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFNXBBEVVYRCTON-UHFFFAOYSA-N
XLogP0.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl) sulfamate?
The IUPAC name of (3,4-difluorophenyl) sulfamate (CID 46883001) is (3,4-difluorophenyl) sulfamate.
What is the SMILES notation for (3,4-difluorophenyl) sulfamate?
The canonical SMILES for (3,4-difluorophenyl) sulfamate is NS(=O)(=O)Oc1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl) sulfamate?
The InChIKey is FNXBBEVVYRCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c7-5-2-1-4(3-6(5)8)12-13(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (3,4-difluorophenyl) sulfamate?
(3,4-difluorophenyl) sulfamate has a molecular weight of 209.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) sulfamate is sourced from PubChem (CID 46883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).