(2,4-difluorophenyl) sulfamate

C6H5F2NO3S — CID 23161084

IUPAC(2,4-difluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C6H5F2NO3S/c7-4-1-2-6(5(8)3-4)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyPBUFNSUVARIIIU-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.55
Rot. Bonds2

About (2,4-difluorophenyl) sulfamate

(2,4-difluorophenyl) sulfamate (PubChem CID 23161084) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is (2,4-difluorophenyl) sulfamate.

Molecular Properties

Compound Name(2,4-difluorophenyl) sulfamate
PubChem CID23161084
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name(2,4-difluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C6H5F2NO3S/c7-4-1-2-6(5(8)3-4)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyPBUFNSUVARIIIU-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 (2,4-difluorophenyl) sulfamate?
The IUPAC name of (2,4-difluorophenyl) sulfamate (CID 23161084) is (2,4-difluorophenyl) sulfamate.
What is the SMILES notation for (2,4-difluorophenyl) sulfamate?
The canonical SMILES for (2,4-difluorophenyl) sulfamate is NS(=O)(=O)Oc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl) sulfamate?
The InChIKey is PBUFNSUVARIIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c7-4-1-2-6(5(8)3-4)12-13(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (2,4-difluorophenyl) sulfamate?
(2,4-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 (2,4-difluorophenyl) sulfamate is sourced from PubChem (CID 23161084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).