N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide

C14H25N3O2S — CID 107328053

IUPACN-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-9(2)12(5)8-16-20(18,19)14-10(3)6-13(17-15)7-11(14)4/h6-7,9,12,16-17H,8,15H2,1-5H3
InChIKeyNZZBOHRRCNUCAS-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.16
Rot. Bonds6

About N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide

N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide (PubChem CID 107328053) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
PubChem CID107328053
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NCC(C)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-9(2)12(5)8-16-20(18,19)14-10(3)6-13(17-15)7-11(14)4/h6-7,9,12,16-17H,8,15H2,1-5H3
InChIKeyNZZBOHRRCNUCAS-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.16
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-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140
4-hydrazinyl-2,6-dimethyl-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 107327963
4-hydrazinyl-2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 107328146
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107327746
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide (CID 107328053) is N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is NZZBOHRRCNUCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(2)12(5)8-16-20(18,19)14-10(3)6-13(17-15)7-11(14)4/h6-7,9,12,16-17H,8,15H2,1-5H3.
What are the key properties of N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).