2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C12H19N3O3S — CID 82740399

IUPAC2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C12H19N3O3S/c1-9-11(7-8-18-9)15(2)19(16,17)12-6-4-3-5-10(12)14-13/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyXSTYRUWXYHMVBB-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.77
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82740399) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82740399
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C12H19N3O3S/c1-9-11(7-8-18-9)15(2)19(16,17)12-6-4-3-5-10(12)14-13/h3-6,9,11,14H,7-8,13H2,1-2H3
InChIKeyXSTYRUWXYHMVBB-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741144
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
5-amino-4-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 116530548
5-amino-3-bromo-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741220
3-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82739106
6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740652

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82740399) is 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is XSTYRUWXYHMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-11(7-8-18-9)15(2)19(16,17)12-6-4-3-5-10(12)14-13/h3-6,9,11,14H,7-8,13H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82740399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).