3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide

C9H13N5O5S — CID 113333609

IUPAC3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNNc1cccc(C(=O)NCCS(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O5S/c10-13-7-3-1-2-6(8(7)14(16)17)9(15)12-4-5-20(11,18)19/h1-3,13H,4-5,10H2,(H,12,15)(H2,11,18,19)
InChIKeyPYYQAHLZGYOPLH-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.10
Rot. Bonds6

About 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide

3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide (PubChem CID 113333609) has the molecular formula C9H13N5O5S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
PubChem CID113333609
Molecular FormulaC9H13N5O5S
Molecular Weight303.30 g/mol
Exact Mass303.06
IUPAC Name3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNNc1cccc(C(=O)NCCS(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O5S/c10-13-7-3-1-2-6(8(7)14(16)17)9(15)12-4-5-20(11,18)19/h1-3,13H,4-5,10H2,(H,12,15)(H2,11,18,19)
InChIKeyPYYQAHLZGYOPLH-UHFFFAOYSA-N
XLogP-1.10
TPSA170.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-2-nitro-N-(3-sulfamoylpropyl)benzamide
CID 115548695
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 115549688
3-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 115549498
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide (CID 113333609) is 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide is NNc1cccc(C(=O)NCCS(N)(=O)=O)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is PYYQAHLZGYOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O5S/c10-13-7-3-1-2-6(8(7)14(16)17)9(15)12-4-5-20(11,18)19/h1-3,13H,4-5,10H2,(H,12,15)(H2,11,18,19).
What are the key properties of 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide?
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide has a molecular weight of 303.30 g/mol, XLogP of -1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 113333609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).