4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide

C12H20N4O4S — CID 43296192

IUPAC4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4S/c1-4-9(2)8-15(3)21(19,20)10-5-6-11(14-13)12(7-10)16(17)18/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyYZFQGSMUXFOGDY-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.55
Rot. Bonds7

About 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide (PubChem CID 43296192) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
PubChem CID43296192
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4S/c1-4-9(2)8-15(3)21(19,20)10-5-6-11(14-13)12(7-10)16(17)18/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyYZFQGSMUXFOGDY-UHFFFAOYSA-N
XLogP1.55
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.55
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

4-(ethylamino)-N-(2-hydroxypropyl)-N-methyl-3-nitrobenzenesulfonamide
CID 62337410
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-(ethylamino)-N-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62149032
N-ethyl-4-(methylamino)-N-(2-methylpropyl)-3-nitrobenzenesulfonamide
CID 62144129
2-amino-N-methyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62143776
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
N-ethyl-4-(ethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62144793
4-amino-N-ethyl-N-methyl-3-nitrobenzenesulfonamide
CID 43263670
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-ethyl-2-hydrazinyl-N-(2-methylbutyl)-5-nitrobenzamide
CID 79482467

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide (CID 43296192) is 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide?
The InChIKey is YZFQGSMUXFOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-4-9(2)8-15(3)21(19,20)10-5-6-11(14-13)12(7-10)16(17)18/h5-7,9,14H,4,8,13H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).