N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide

C12H19N3O2S — CID 107327980

IUPACN-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H19N3O2S/c1-8-6-11(14-13)7-9(2)12(8)18(16,17)15-10-4-3-5-10/h6-7,10,14-15H,3-5,13H2,1-2H3
InChIKeyMRQZRPDHUICUNP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.42
Rot. Bonds4

About N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide

N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide (PubChem CID 107327980) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
PubChem CID107327980
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H19N3O2S/c1-8-6-11(14-13)7-9(2)12(8)18(16,17)15-10-4-3-5-10/h6-7,10,14-15H,3-5,13H2,1-2H3
InChIKeyMRQZRPDHUICUNP-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.42
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-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
4-hydrazinyl-2,6-dimethyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 107327973
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
CID 107328516
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107327853
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107327746
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide (CID 107327980) is N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is MRQZRPDHUICUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-6-11(14-13)7-9(2)12(8)18(16,17)15-10-4-3-5-10/h6-7,10,14-15H,3-5,13H2,1-2H3.
What are the key properties of N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide?
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).