3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide

C9H12ClN5O5S — CID 62243070

IUPAC3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNNc1c(Cl)cc(C(=O)NCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12ClN5O5S/c10-6-3-5(4-7(15(17)18)8(6)14-11)9(16)13-1-2-21(12,19)20/h3-4,14H,1-2,11H2,(H,13,16)(H2,12,19,20)
InChIKeyCMDCWQLSYASMQL-UHFFFAOYSA-N
MW337.75 g/mol
LogP-0.45
Rot. Bonds6

About 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide

3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide (PubChem CID 62243070) has the molecular formula C9H12ClN5O5S and a molecular weight of 337.75 g/mol. Its IUPAC name is 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
PubChem CID62243070
Molecular FormulaC9H12ClN5O5S
Molecular Weight337.75 g/mol
Exact Mass337.02
IUPAC Name3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNNc1c(Cl)cc(C(=O)NCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12ClN5O5S/c10-6-3-5(4-7(15(17)18)8(6)14-11)9(16)13-1-2-21(12,19)20/h3-4,14H,1-2,11H2,(H,13,16)(H2,12,19,20)
InChIKeyCMDCWQLSYASMQL-UHFFFAOYSA-N
XLogP-0.45
TPSA170.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 5-0.45
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-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
CID 62234304
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
CID 62170600
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197
3-chloro-N-[2-(dimethylamino)ethyl]-4-(methylamino)-5-nitrobenzamide
CID 62171325
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
CID 62242721
3-chloro-4-hydrazinyl-N-(2-hydroxyethyl)-5-nitro-N-propan-2-ylbenzamide
CID 62241877

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide (CID 62243070) is 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide is NNc1c(Cl)cc(C(=O)NCCS(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is CMDCWQLSYASMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O5S/c10-6-3-5(4-7(15(17)18)8(6)14-11)9(16)13-1-2-21(12,19)20/h3-4,14H,1-2,11H2,(H,13,16)(H2,12,19,20).
What are the key properties of 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide?
3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide has a molecular weight of 337.75 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 62243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).