N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide

C11H16N4O4S — CID 82854442

IUPACN-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C11H16N4O4S/c1-2-14(8-3-4-8)20(18,19)9-5-6-11(15(16)17)10(7-9)13-12/h5-8,13H,2-4,12H2,1H3
InChIKeyMLCAGEJZCWLYPM-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.05
Rot. Bonds6

About N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide

N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 82854442) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID82854442
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C11H16N4O4S/c1-2-14(8-3-4-8)20(18,19)9-5-6-11(15(16)17)10(7-9)13-12/h5-8,13H,2-4,12H2,1H3
InChIKeyMLCAGEJZCWLYPM-UHFFFAOYSA-N
XLogP1.05
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.05
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-cyclopropyl-N-ethyl-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 62143250
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-cyclopropyl-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 24679119
N-cyclopropyl-N-ethyl-4-methoxy-3-nitrobenzenesulfonamide
CID 24679110
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 82847527
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
N-cyclopropyl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854203
N-cyclohexyl-N-ethyl-4-nitrobenzenesulfonamide
CID 3319709
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 60990037
N,N-diethyl-3-(ethylamino)-4-nitrobenzenesulfonamide
CID 82854182

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide (CID 82854442) is N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is MLCAGEJZCWLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-2-14(8-3-4-8)20(18,19)9-5-6-11(15(16)17)10(7-9)13-12/h5-8,13H,2-4,12H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide?
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).