N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide

C8H12N4O4S — CID 60988898

IUPACN-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4S/c1-2-10-17(15,16)8-5-6(11-9)3-4-7(8)12(13)14/h3-5,10-11H,2,9H2,1H3
InChIKeyQMYUJGKIFNXCQD-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.18
Rot. Bonds5

About N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide

N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide (PubChem CID 60988898) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
PubChem CID60988898
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC NameN-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4S/c1-2-10-17(15,16)8-5-6(11-9)3-4-7(8)12(13)14/h3-5,10-11H,2,9H2,1H3
InChIKeyQMYUJGKIFNXCQD-UHFFFAOYSA-N
XLogP0.18
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.18
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

N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244446
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide (CID 60988898) is N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide is CCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide?
The InChIKey is QMYUJGKIFNXCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-2-10-17(15,16)8-5-6(11-9)3-4-7(8)12(13)14/h3-5,10-11H,2,9H2,1H3.
What are the key properties of N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide?
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide has a molecular weight of 260.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 60988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).