2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide

C10H16N4O4S — CID 43325298

IUPAC2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H16N4O4S/c1-7(2)6-12-19(17,18)10-5-8(14(15)16)3-4-9(10)13-11/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyGCIYPCLYOVMJRI-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.81
Rot. Bonds6

About 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide

2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide (PubChem CID 43325298) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
PubChem CID43325298
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H16N4O4S/c1-7(2)6-12-19(17,18)10-5-8(14(15)16)3-4-9(10)13-11/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyGCIYPCLYOVMJRI-UHFFFAOYSA-N
XLogP0.81
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
N-[2-(dimethylamino)propyl]-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62158813
2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355013
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 64539787
2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62148796
2-ethyl-N-[2-(methylamino)propyl]-5-nitrobenzenesulfonamide
CID 120825235
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide (CID 43325298) is 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide is CC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The InChIKey is GCIYPCLYOVMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-7(2)6-12-19(17,18)10-5-8(14(15)16)3-4-9(10)13-11/h3-5,7,12-13H,6,11H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43325298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).