furan-2-yl sulfamate

C4H5NO4S — CID 91573217

IUPACfuran-2-yl sulfamate
SMILESNS(=O)(=O)Oc1ccco1
InChIInChI=1S/C4H5NO4S/c5-10(6,7)9-4-2-1-3-8-4/h1-3H,(H2,5,6,7)
InChIKeyGLDDVQKUNTWFOX-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.14
Rot. Bonds2

About furan-2-yl sulfamate

furan-2-yl sulfamate (PubChem CID 91573217) has the molecular formula C4H5NO4S and a molecular weight of 163.15 g/mol. Its IUPAC name is furan-2-yl sulfamate.

Molecular Properties

Compound Namefuran-2-yl sulfamate
PubChem CID91573217
Molecular FormulaC4H5NO4S
Molecular Weight163.15 g/mol
Exact Mass162.99
IUPAC Namefuran-2-yl sulfamate
SMILESNS(=O)(=O)Oc1ccco1
InChIInChI=1S/C4H5NO4S/c5-10(6,7)9-4-2-1-3-8-4/h1-3H,(H2,5,6,7)
InChIKeyGLDDVQKUNTWFOX-UHFFFAOYSA-N
XLogP-0.14
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl sulfamate?
The IUPAC name of furan-2-yl sulfamate (CID 91573217) is furan-2-yl sulfamate.
What is the SMILES notation for furan-2-yl sulfamate?
The canonical SMILES for furan-2-yl sulfamate is NS(=O)(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl sulfamate?
The InChIKey is GLDDVQKUNTWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4S/c5-10(6,7)9-4-2-1-3-8-4/h1-3H,(H2,5,6,7).
What are the key properties of furan-2-yl sulfamate?
furan-2-yl sulfamate has a molecular weight of 163.15 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl sulfamate is sourced from PubChem (CID 91573217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).