methyl N-(2-nitrophenoxy)sulfonylcarbamate

C8H8N2O7S — CID 110191137

IUPACmethyl N-(2-nitrophenoxy)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O7S/c1-16-8(11)9-18(14,15)17-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyJINSKRGQOKZKNX-UHFFFAOYSA-N
MW276.23 g/mol
LogP0.57
Rot. Bonds4

About methyl N-(2-nitrophenoxy)sulfonylcarbamate

methyl N-(2-nitrophenoxy)sulfonylcarbamate (PubChem CID 110191137) has the molecular formula C8H8N2O7S and a molecular weight of 276.23 g/mol. Its IUPAC name is methyl N-(2-nitrophenoxy)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-nitrophenoxy)sulfonylcarbamate
PubChem CID110191137
Molecular FormulaC8H8N2O7S
Molecular Weight276.23 g/mol
Exact Mass276.01
IUPAC Namemethyl N-(2-nitrophenoxy)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O7S/c1-16-8(11)9-18(14,15)17-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyJINSKRGQOKZKNX-UHFFFAOYSA-N
XLogP0.57
TPSA124.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl) N-(3-acetylphenyl)sulfamate
CID 39434857
(2-nitrophenyl) 2,6-dichlorobenzenesulfonate
CID 26946627
(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
(2-nitrophenyl) phenylmethanesulfonate
CID 71444611
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
(2-nitrophenyl) 2-methoxy-4-nitrobenzenesulfonate
CID 39617811
2-(2-nitrophenoxy)benzoic acid
CID 19922477
methyl 5-bromo-2-(2-nitrophenoxy)benzoate
CID 58522499
ethyl N-(2-nitrobenzoyl)carbamate
CID 154155950
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-nitrophenoxy)sulfonylcarbamate?
The IUPAC name of methyl N-(2-nitrophenoxy)sulfonylcarbamate (CID 110191137) is methyl N-(2-nitrophenoxy)sulfonylcarbamate.
What is the SMILES notation for methyl N-(2-nitrophenoxy)sulfonylcarbamate?
The canonical SMILES for methyl N-(2-nitrophenoxy)sulfonylcarbamate is COC(=O)NS(=O)(=O)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl N-(2-nitrophenoxy)sulfonylcarbamate?
The InChIKey is JINSKRGQOKZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O7S/c1-16-8(11)9-18(14,15)17-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11).
What are the key properties of methyl N-(2-nitrophenoxy)sulfonylcarbamate?
methyl N-(2-nitrophenoxy)sulfonylcarbamate has a molecular weight of 276.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-nitrophenoxy)sulfonylcarbamate is sourced from PubChem (CID 110191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).