N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide

C11H19N3O2S — CID 61168465

IUPACN-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-13-17(15,16)10-6-4-9(14-12)5-7-10/h4-7,13-14H,8,12H2,1-3H3
InChIKeyYMROIIWWYYPEKS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.30
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide

N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 61168465) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
PubChem CID61168465
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)8-13-17(15,16)10-6-4-9(14-12)5-7-10/h4-7,13-14H,8,12H2,1-3H3
InChIKeyYMROIIWWYYPEKS-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.30
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

4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
CID 65042690
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide (CID 61168465) is N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide is CC(C)(C)CNS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is YMROIIWWYYPEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)8-13-17(15,16)10-6-4-9(14-12)5-7-10/h4-7,13-14H,8,12H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide?
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 61168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).