3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide

C10H12N6O4S — CID 115992869

IUPAC3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O4S/c1-15-9(5-6-12-15)14-21(19,20)8-4-2-3-7(13-11)10(8)16(17)18/h2-6,13-14H,11H2,1H3
InChIKeyOMJFYZNNBQOGJF-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.41
Rot. Bonds5

About 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide

3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide (PubChem CID 115992869) has the molecular formula C10H12N6O4S and a molecular weight of 312.31 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
PubChem CID115992869
Molecular FormulaC10H12N6O4S
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Name3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O4S/c1-15-9(5-6-12-15)14-21(19,20)8-4-2-3-7(13-11)10(8)16(17)18/h2-6,13-14H,11H2,1H3
InChIKeyOMJFYZNNBQOGJF-UHFFFAOYSA-N
XLogP0.41
TPSA145.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 112675174
2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide
CID 62157367
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 115992675
3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115992966
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
CID 142742599
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 115993249
[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine
CID 115992827
3-(methylamino)-N-(3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 115993206
3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 79889831
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide (CID 115992869) is 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide is Cn1nccc1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide?
The InChIKey is OMJFYZNNBQOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4S/c1-15-9(5-6-12-15)14-21(19,20)8-4-2-3-7(13-11)10(8)16(17)18/h2-6,13-14H,11H2,1H3.
What are the key properties of 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide?
3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115992869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).