2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide

C13H23N3O2S — CID 113287642

IUPAC2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H23N3O2S/c1-11(2)7-5-6-10-15-19(17,18)13-9-4-3-8-12(13)16-14/h3-4,8-9,11,15-16H,5-7,10,14H2,1-2H3
InChIKeySDGZZMJOWYAHOL-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.08
Rot. Bonds8

About 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide

2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 113287642) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
PubChem CID113287642
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H23N3O2S/c1-11(2)7-5-6-10-15-19(17,18)13-9-4-3-8-12(13)16-14/h3-4,8-9,11,15-16H,5-7,10,14H2,1-2H3
InChIKeySDGZZMJOWYAHOL-UHFFFAOYSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.08
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-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
3-hydrazinyl-N-(7-methyloctyl)pyridine-2-sulfonamide
CID 107816644
2-hydrazinyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 113327826
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350502
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-hydrazinyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 61377131

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide (CID 113287642) is 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide is CC(C)CCCCNS(=O)(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is SDGZZMJOWYAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(2)7-5-6-10-15-19(17,18)13-9-4-3-8-12(13)16-14/h3-4,8-9,11,15-16H,5-7,10,14H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide?
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 113287642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).