N-butan-2-yl-4-hydrazinylbenzenesulfonamide

C10H17N3O2S — CID 43454951

IUPACN-butan-2-yl-4-hydrazinylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C10H17N3O2S/c1-3-8(2)13-16(14,15)10-6-4-9(12-11)5-7-10/h4-8,12-13H,3,11H2,1-2H3
InChIKeyWWJVSGXQMOJHTG-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.05
Rot. Bonds5

About N-butan-2-yl-4-hydrazinylbenzenesulfonamide

N-butan-2-yl-4-hydrazinylbenzenesulfonamide (PubChem CID 43454951) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-butan-2-yl-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-hydrazinylbenzenesulfonamide
PubChem CID43454951
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-butan-2-yl-4-hydrazinylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C10H17N3O2S/c1-3-8(2)13-16(14,15)10-6-4-9(12-11)5-7-10/h4-8,12-13H,3,11H2,1-2H3
InChIKeyWWJVSGXQMOJHTG-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.05
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-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
CID 65042690

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-hydrazinylbenzenesulfonamide (CID 43454951) is N-butan-2-yl-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-hydrazinylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-butan-2-yl-4-hydrazinylbenzenesulfonamide?
The InChIKey is WWJVSGXQMOJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-8(2)13-16(14,15)10-6-4-9(12-11)5-7-10/h4-8,12-13H,3,11H2,1-2H3.
What are the key properties of N-butan-2-yl-4-hydrazinylbenzenesulfonamide?
N-butan-2-yl-4-hydrazinylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43454951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).