nitrobenzene;(sulfamoylamino)oxymethane

C7H11N3O5S — CID 67102701

IUPACnitrobenzene;(sulfamoylamino)oxymethane
SMILESCONS(N)(=O)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.CH6N2O3S/c8-7(9)6-4-2-1-3-5-6;1-6-3-7(2,4)5/h1-5H;3H,1H3,(H2,2,4,5)
InChIKeyRDLDVBKQWPHETF-UHFFFAOYSA-N
MW249.25 g/mol
LogP-0.06
Rot. Bonds3

About nitrobenzene;(sulfamoylamino)oxymethane

nitrobenzene;(sulfamoylamino)oxymethane (PubChem CID 67102701) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is nitrobenzene;(sulfamoylamino)oxymethane.

Molecular Properties

Compound Namenitrobenzene;(sulfamoylamino)oxymethane
PubChem CID67102701
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Namenitrobenzene;(sulfamoylamino)oxymethane
SMILESCONS(N)(=O)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.CH6N2O3S/c8-7(9)6-4-2-1-3-5-6;1-6-3-7(2,4)5/h1-5H;3H,1H3,(H2,2,4,5)
InChIKeyRDLDVBKQWPHETF-UHFFFAOYSA-N
XLogP-0.06
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

nitrobenzene;sulfamide
CID 19382092
N-methoxy-4-nitrobenzenesulfonamide
CID 56777248
nitrobenzene;urea
CID 22364416
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CID 66874578
dipotassium;nitrobenzene;sulfate
CID 161002663
azanium nitrobenzene
CID 22989049
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
arsane;nitrobenzene
CID 174282180
calcium nitrobenzene
CID 67916702
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CID 175242029
methane;nitrobenzene;sulfuryl dichloride
CID 174890288

Frequently Asked Questions

What is the IUPAC name of nitrobenzene;(sulfamoylamino)oxymethane?
The IUPAC name of nitrobenzene;(sulfamoylamino)oxymethane (CID 67102701) is nitrobenzene;(sulfamoylamino)oxymethane.
What is the SMILES notation for nitrobenzene;(sulfamoylamino)oxymethane?
The canonical SMILES for nitrobenzene;(sulfamoylamino)oxymethane is CONS(N)(=O)=O.O=[N+]([O-])c1ccccc1.
What is the InChIKey of nitrobenzene;(sulfamoylamino)oxymethane?
The InChIKey is RDLDVBKQWPHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.CH6N2O3S/c8-7(9)6-4-2-1-3-5-6;1-6-3-7(2,4)5/h1-5H;3H,1H3,(H2,2,4,5).
What are the key properties of nitrobenzene;(sulfamoylamino)oxymethane?
nitrobenzene;(sulfamoylamino)oxymethane has a molecular weight of 249.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitrobenzene;(sulfamoylamino)oxymethane is sourced from PubChem (CID 67102701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).