2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide

C8H12N4O4S — CID 43142166

IUPAC2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C8H12N4O4S/c1-11(2)17(15,16)8-4-3-6(12(13)14)5-7(8)10-9/h3-5,10H,9H2,1-2H3
InChIKeySOTBNSJQDFANTN-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.13
Rot. Bonds4

About 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide

2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide (PubChem CID 43142166) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
PubChem CID43142166
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC Name2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C8H12N4O4S/c1-11(2)17(15,16)8-4-3-6(12(13)14)5-7(8)10-9/h3-5,10H,9H2,1-2H3
InChIKeySOTBNSJQDFANTN-UHFFFAOYSA-N
XLogP0.13
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
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-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
CID 62635669
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-(ethylamino)-N-methyl-4-nitro-N-propan-2-ylbenzenesulfonamide
CID 62150954
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
N-methyl-2-(methylamino)-N-(3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 62145933
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide (CID 43142166) is 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide?
The InChIKey is SOTBNSJQDFANTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-11(2)17(15,16)8-4-3-6(12(13)14)5-7(8)10-9/h3-5,10H,9H2,1-2H3.
What are the key properties of 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide?
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide has a molecular weight of 260.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 43142166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).