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

C10H13N5O4S — CID 43325252

IUPACN-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H13N5O4S/c1-14(6-2-5-11)20(18,19)10-7-8(15(16)17)3-4-9(10)13-12/h3-4,7,13H,2,6,12H2,1H3
InChIKeyMQEIZYFJLWMUGL-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.41
Rot. Bonds6

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

N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide (PubChem CID 43325252) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
PubChem CID43325252
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC NameN-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C10H13N5O4S/c1-14(6-2-5-11)20(18,19)10-7-8(15(16)17)3-4-9(10)13-12/h3-4,7,13H,2,6,12H2,1H3
InChIKeyMQEIZYFJLWMUGL-UHFFFAOYSA-N
XLogP0.41
TPSA142.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.41
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

2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61428525
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63858622
N-(2,2-dimethylpropyl)-N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62153273
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509
2-(methylamino)-5-nitro-N,N-dipropylbenzenesulfonamide
CID 62150589
N-(2-cyanoethyl)-4-fluoro-N-methyl-2-nitrobenzenesulfonamide
CID 29040571
3-amino-N-(2-cyanoethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 112675251
N-methyl-2-(methylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62146287
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide (CID 43325252) is N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide is CN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The InChIKey is MQEIZYFJLWMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-14(6-2-5-11)20(18,19)10-7-8(15(16)17)3-4-9(10)13-12/h3-4,7,13H,2,6,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide has a molecular weight of 299.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43325252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).