4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C11H19N3O2S — CID 43455143

IUPAC4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C11H19N3O2S/c1-8(2)9(3)14-17(15,16)11-6-4-10(13-12)5-7-11/h4-9,13-14H,12H2,1-3H3
InChIKeyOQFKCNDKVHGYDY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.29
Rot. Bonds5

About 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide

4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43455143) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID43455143
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C11H19N3O2S/c1-8(2)9(3)14-17(15,16)11-6-4-10(13-12)5-7-11/h4-9,13-14H,12H2,1-3H3
InChIKeyOQFKCNDKVHGYDY-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.29
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-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-N-[(2S)-3-methylbutan-2-yl]-1-N-pyridin-4-ylbenzene-1,4-disulfonamide
CID 97309370
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 43455143) is 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is OQFKCNDKVHGYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)9(3)14-17(15,16)11-6-4-10(13-12)5-7-11/h4-9,13-14H,12H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43455143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).