N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide

C13H23N3O2S — CID 65042690

IUPACN-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-7-11(15-14)8-10-12/h7-10,15-16H,4-6,14H2,1-3H3
InChIKeyOQVGIMURBSVVDO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.22
Rot. Bonds7

About N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide

N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide (PubChem CID 65042690) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
PubChem CID65042690
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-7-11(15-14)8-10-12/h7-10,15-16H,4-6,14H2,1-3H3
InChIKeyOQVGIMURBSVVDO-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
3-amino-4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 115329475
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzenesulfonamide
CID 107868413
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide (CID 65042690) is N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide is CCC(CC)(CC)NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is OQVGIMURBSVVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-13(5-2,6-3)16-19(17,18)12-9-7-11(15-14)8-10-12/h7-10,15-16H,4-6,14H2,1-3H3.
What are the key properties of N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide?
N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 65042690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).