2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide

C13H18N4O3S — CID 43456658

IUPAC2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C13H18N4O3S/c1-9(8-20-2)17-21(18,19)11-4-5-12-10(7-11)3-6-13(15-12)16-14/h3-7,9,17H,8,14H2,1-2H3,(H,15,16)
InChIKeyZWMSUALJOIUNJL-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.83
Rot. Bonds6

About 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide

2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide (PubChem CID 43456658) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
PubChem CID43456658
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2nc(NN)ccc2c1
InChIInChI=1S/C13H18N4O3S/c1-9(8-20-2)17-21(18,19)11-4-5-12-10(7-11)3-6-13(15-12)16-14/h3-7,9,17H,8,14H2,1-2H3,(H,15,16)
InChIKeyZWMSUALJOIUNJL-UHFFFAOYSA-N
XLogP0.83
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1-methoxypropan-2-yl)-2-(methylamino)quinoline-6-sulfonamide
CID 62163537
2-hydrazinyl-N-pentan-2-ylquinoline-6-sulfonamide
CID 43456648
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605294
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
CID 62143741
2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
CID 43566345
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide (CID 43456658) is 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide is COCC(C)NS(=O)(=O)c1ccc2nc(NN)ccc2c1.
What is the InChIKey of 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The InChIKey is ZWMSUALJOIUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(8-20-2)17-21(18,19)11-4-5-12-10(7-11)3-6-13(15-12)16-14/h3-7,9,17H,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 43456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).