2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide

C10H16N4O5S — CID 61428525

IUPAC2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H16N4O5S/c1-13(5-6-19-2)20(17,18)10-7-8(14(15)16)3-4-9(10)12-11/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyLNOQTMBSUIZIKW-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.15
Rot. Bonds7

About 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide

2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide (PubChem CID 61428525) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
PubChem CID61428525
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H16N4O5S/c1-13(5-6-19-2)20(17,18)10-7-8(14(15)16)3-4-9(10)12-11/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyLNOQTMBSUIZIKW-UHFFFAOYSA-N
XLogP0.15
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
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

N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63858622
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
N-(2,2-dimethylpropyl)-N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62153273
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide (CID 61428525) is 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide is COCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide?
The InChIKey is LNOQTMBSUIZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-13(5-6-19-2)20(17,18)10-7-8(14(15)16)3-4-9(10)12-11/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide?
2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 61428525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).