nitrobenzene;sulfamide

C6H9N3O4S — CID 19382092

IUPACnitrobenzene;sulfamide
SMILESNS(N)(=O)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.H4N2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H4,1,2,3,4)
InChIKeyYYRPZPMQVQAALO-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.26
Rot. Bonds1

About nitrobenzene;sulfamide

nitrobenzene;sulfamide (PubChem CID 19382092) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is nitrobenzene;sulfamide.

Molecular Properties

Compound Namenitrobenzene;sulfamide
PubChem CID19382092
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Namenitrobenzene;sulfamide
SMILESNS(N)(=O)=O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.H4N2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H4,1,2,3,4)
InChIKeyYYRPZPMQVQAALO-UHFFFAOYSA-N
XLogP-0.26
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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azanium nitrobenzene
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CID 70503336
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CID 67102701
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Frequently Asked Questions

What is the IUPAC name of nitrobenzene;sulfamide?
The IUPAC name of nitrobenzene;sulfamide (CID 19382092) is nitrobenzene;sulfamide.
What is the SMILES notation for nitrobenzene;sulfamide?
The canonical SMILES for nitrobenzene;sulfamide is NS(N)(=O)=O.O=[N+]([O-])c1ccccc1.
What is the InChIKey of nitrobenzene;sulfamide?
The InChIKey is YYRPZPMQVQAALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.H4N2O2S/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H4,1,2,3,4).
What are the key properties of nitrobenzene;sulfamide?
nitrobenzene;sulfamide has a molecular weight of 219.22 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrobenzene;sulfamide is sourced from PubChem (CID 19382092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).