N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide

C11H19N5O4S — CID 62635669

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H19N5O4S/c1-3-15(2)7-6-13-21(19,20)11-5-4-9(16(17)18)8-10(11)14-12/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyRYTXDTLMRPLVQG-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.11
Rot. Bonds8

About N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 62635669) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID62635669
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H19N5O4S/c1-3-15(2)7-6-13-21(19,20)11-5-4-9(16(17)18)8-10(11)14-12/h4-5,8,13-14H,3,6-7,12H2,1-2H3
InChIKeyRYTXDTLMRPLVQG-UHFFFAOYSA-N
XLogP0.11
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
N'-ethyl-N'-methyl-N-(2-methyl-4-nitrophenyl)ethane-1,2-diamine
CID 62640169
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 82846355
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62640031
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide (CID 62635669) is N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide is CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is RYTXDTLMRPLVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-3-15(2)7-6-13-21(19,20)11-5-4-9(16(17)18)8-10(11)14-12/h4-5,8,13-14H,3,6-7,12H2,1-2H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62635669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).