N-butyl-2-hydrazinylbenzenesulfonamide

C10H17N3O2S — CID 43454845

IUPACN-butyl-2-hydrazinylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C10H17N3O2S/c1-2-3-8-12-16(14,15)10-7-5-4-6-9(10)13-11/h4-7,12-13H,2-3,8,11H2,1H3
InChIKeyBKYQHAHWROFWPH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.05
Rot. Bonds6

About N-butyl-2-hydrazinylbenzenesulfonamide

N-butyl-2-hydrazinylbenzenesulfonamide (PubChem CID 43454845) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-butyl-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-hydrazinylbenzenesulfonamide
PubChem CID43454845
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-butyl-2-hydrazinylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C10H17N3O2S/c1-2-3-8-12-16(14,15)10-7-5-4-6-9(10)13-11/h4-7,12-13H,2-3,8,11H2,1H3
InChIKeyBKYQHAHWROFWPH-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 113327826
N-butyl-3-hydrazinylpyridine-2-sulfonamide
CID 103300794
2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350502
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
N-butyl-2-(furan-2-yl)benzenesulfonamide
CID 168525566

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-butyl-2-hydrazinylbenzenesulfonamide (CID 43454845) is N-butyl-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-butyl-2-hydrazinylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1NN.
What is the InChIKey of N-butyl-2-hydrazinylbenzenesulfonamide?
The InChIKey is BKYQHAHWROFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-8-12-16(14,15)10-7-5-4-6-9(10)13-11/h4-7,12-13H,2-3,8,11H2,1H3.
What are the key properties of N-butyl-2-hydrazinylbenzenesulfonamide?
N-butyl-2-hydrazinylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43454845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).