naphthalen-1-yl sulfamate

C10H9NO3S — CID 25056076

IUPACnaphthalen-1-yl sulfamate
SMILESNS(=O)(=O)Oc1cccc2ccccc12
InChIInChI=1S/C10H9NO3S/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKeyDVTUJXGMJVRSEZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.42
Rot. Bonds2

About naphthalen-1-yl sulfamate

naphthalen-1-yl sulfamate (PubChem CID 25056076) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is naphthalen-1-yl sulfamate.

Molecular Properties

Compound Namenaphthalen-1-yl sulfamate
PubChem CID25056076
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namenaphthalen-1-yl sulfamate
SMILESNS(=O)(=O)Oc1cccc2ccccc12
InChIInChI=1S/C10H9NO3S/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
InChIKeyDVTUJXGMJVRSEZ-UHFFFAOYSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluorosulfonyloxynaphthalene
CID 14897549
(2,6-dimethoxyphenyl) sulfamate
CID 86254316
naphthalen-1-yl pentane-1-sulfonate;neodymium
CID 174595330
naphthalen-1-yl pentadecane-1-sulfonate
CID 87678108
calcium;hydride;naphthalen-1-yl dodecane-1-sulfonate
CID 174591731
butyl naphthalen-1-yl sulfate
CID 154488689
(2,3-dichlorophenyl) sulfamate
CID 54352588
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
azane;naphthalene-1-sulfonamide
CID 174765300
silver naphthalen-1-yl phosphate
CID 23471186
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
6-naphthalen-1-yloxypyridine-3-sulfonamide
CID 115928043

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl sulfamate?
The IUPAC name of naphthalen-1-yl sulfamate (CID 25056076) is naphthalen-1-yl sulfamate.
What is the SMILES notation for naphthalen-1-yl sulfamate?
The canonical SMILES for naphthalen-1-yl sulfamate is NS(=O)(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl sulfamate?
The InChIKey is DVTUJXGMJVRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13).
What are the key properties of naphthalen-1-yl sulfamate?
naphthalen-1-yl sulfamate has a molecular weight of 223.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl sulfamate is sourced from PubChem (CID 25056076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).