4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide

C13H23N3O3S — CID 107327994

IUPAC4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1c(C)cc(NN)cc1C
InChIInChI=1S/C13H23N3O3S/c1-10-8-12(15-14)9-11(2)13(10)20(17,18)16(3)6-5-7-19-4/h8-9,15H,5-7,14H2,1-4H3
InChIKeyDBEXTWVTDBEJHT-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.25
Rot. Bonds7

About 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide

4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107327994) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
PubChem CID107327994
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1c(C)cc(NN)cc1C
InChIInChI=1S/C13H23N3O3S/c1-10-8-12(15-14)9-11(2)13(10)20(17,18)16(3)6-5-7-19-4/h8-9,15H,5-7,14H2,1-4H3
InChIKeyDBEXTWVTDBEJHT-UHFFFAOYSA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
3-(aminomethyl)-4-fluoro-N-(3-methoxypropyl)-N,5-dimethylbenzenesulfonamide
CID 81435429
4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
CID 107327779
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
3-amino-5-bromo-N-(3-methoxypropyl)-N,2-dimethylbenzenesulfonamide
CID 114379564
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
N-butyl-4-(2-methoxyethoxy)-N,2,6-trimethylbenzenesulfonamide;carbon dioxide;2-[[4-(2-methoxyethoxy)-2,6-dimethylphenyl]sulfonyl-methylamino]ethyl formate
CID 161178849
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide (CID 107327994) is 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide is COCCCN(C)S(=O)(=O)c1c(C)cc(NN)cc1C.
What is the InChIKey of 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is DBEXTWVTDBEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-8-12(15-14)9-11(2)13(10)20(17,18)16(3)6-5-7-19-4/h8-9,15H,5-7,14H2,1-4H3.
What are the key properties of 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide?
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107327994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).