3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide

C12H20N4O4S — CID 82847669

IUPAC3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-4-5-9(2)15(3)21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14H,4-5,13H2,1-3H3
InChIKeyGMJWVEPNLFBSDD-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.69
Rot. Bonds7

About 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide

3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide (PubChem CID 82847669) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
PubChem CID82847669
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-4-5-9(2)15(3)21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14H,4-5,13H2,1-3H3
InChIKeyGMJWVEPNLFBSDD-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

3-amino-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82846246
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 82847527
4-hydroxy-N-methyl-3-nitro-N-pentan-2-ylbenzenesulfonamide
CID 43430440
N-butan-2-yl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854127
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-methyl-2-(methylamino)-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 62147014
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192
4-(ethylamino)-N-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62149032
N-(1-aminopropan-2-yl)-3-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 119982507

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide (CID 82847669) is 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is GMJWVEPNLFBSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-4-5-9(2)15(3)21(19,20)10-6-7-12(16(17)18)11(8-10)14-13/h6-9,14H,4-5,13H2,1-3H3.
What are the key properties of 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide?
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82847669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).