N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide

C11H18N4O4S — CID 115992675

IUPACN-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S/c1-3-8-14(4-2)20(18,19)10-7-5-6-9(13-12)11(10)15(16)17/h5-7,13H,3-4,8,12H2,1-2H3
InChIKeyNCOZNAMZCZZRHT-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.30
Rot. Bonds7

About N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide

N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide (PubChem CID 115992675) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
PubChem CID115992675
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S/c1-3-8-14(4-2)20(18,19)10-7-5-6-9(13-12)11(10)15(16)17/h5-7,13H,3-4,8,12H2,1-2H3
InChIKeyNCOZNAMZCZZRHT-UHFFFAOYSA-N
XLogP1.30
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.30
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

N,N-bis(2-hydroxyethyl)-3-(methylamino)-2-nitrobenzenesulfonamide
CID 115993466
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 112675174
N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675307
N-butyl-3-(ethylamino)-N-methyl-2-nitrobenzenesulfonamide
CID 115993200
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675323
N-methyl-3-(methylamino)-2-nitro-N-pentan-2-ylbenzenesulfonamide
CID 115993430
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-[ethyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 61007014
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115992869
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide (CID 115992675) is N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The InChIKey is NCOZNAMZCZZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-3-8-14(4-2)20(18,19)10-7-5-6-9(13-12)11(10)15(16)17/h5-7,13H,3-4,8,12H2,1-2H3.
What are the key properties of N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide is sourced from PubChem (CID 115992675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).