(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate

C10H11NO4S — CID 10847681

IUPAC(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C10H11NO4S/c11-16(13,14)15-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2,(H2,11,13,14)
InChIKeyXBPRHUZLUUDOJH-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.79
Rot. Bonds2

About (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate

(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate (PubChem CID 10847681) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate.

Molecular Properties

Compound Name(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate
PubChem CID10847681
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C10H11NO4S/c11-16(13,14)15-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2,(H2,11,13,14)
InChIKeyXBPRHUZLUUDOJH-UHFFFAOYSA-N
XLogP0.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate?
The IUPAC name of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate (CID 10847681) is (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate.
What is the SMILES notation for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate?
The canonical SMILES for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CCCC2=O.
What is the InChIKey of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate?
The InChIKey is XBPRHUZLUUDOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-16(13,14)15-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2,(H2,11,13,14).
What are the key properties of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate?
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate has a molecular weight of 241.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) sulfamate is sourced from PubChem (CID 10847681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).