phenyl sulfamate

C6H7NO3S — CID 11030308

IUPACphenyl sulfamate
SMILESNS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyXOIYZMDJFLKIEI-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.27
Rot. Bonds2

About phenyl sulfamate

phenyl sulfamate (PubChem CID 11030308) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is phenyl sulfamate.

Molecular Properties

Compound Namephenyl sulfamate
PubChem CID11030308
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namephenyl sulfamate
SMILESNS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyXOIYZMDJFLKIEI-UHFFFAOYSA-N
XLogP0.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl sulfamate?
The IUPAC name of phenyl sulfamate (CID 11030308) is phenyl sulfamate.
What is the SMILES notation for phenyl sulfamate?
The canonical SMILES for phenyl sulfamate is NS(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl sulfamate?
The InChIKey is XOIYZMDJFLKIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9).
What are the key properties of phenyl sulfamate?
phenyl sulfamate has a molecular weight of 173.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl sulfamate is sourced from PubChem (CID 11030308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).