2-amino-N',N',6-trimethylbenzenesulfonohydrazide

C9H15N3O2S — CID 83013451

IUPAC2-amino-N',N',6-trimethylbenzenesulfonohydrazide
SMILESCc1cccc(N)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C9H15N3O2S/c1-7-5-4-6-8(10)9(7)15(13,14)11-12(2)3/h4-6,11H,10H2,1-3H3
InChIKeyIKNSNMLLUDVPLB-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-N',N',6-trimethylbenzenesulfonohydrazide

2-amino-N',N',6-trimethylbenzenesulfonohydrazide (PubChem CID 83013451) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-amino-N',N',6-trimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-amino-N',N',6-trimethylbenzenesulfonohydrazide
PubChem CID83013451
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-amino-N',N',6-trimethylbenzenesulfonohydrazide
SMILESCc1cccc(N)c1S(=O)(=O)NN(C)C
InChIInChI=1S/C9H15N3O2S/c1-7-5-4-6-8(10)9(7)15(13,14)11-12(2)3/h4-6,11H,10H2,1-3H3
InChIKeyIKNSNMLLUDVPLB-UHFFFAOYSA-N
XLogP0.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 43452486
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
2-amino-6-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386899
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N',N',6-trimethylbenzenesulfonohydrazide?
The IUPAC name of 2-amino-N',N',6-trimethylbenzenesulfonohydrazide (CID 83013451) is 2-amino-N',N',6-trimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2-amino-N',N',6-trimethylbenzenesulfonohydrazide?
The canonical SMILES for 2-amino-N',N',6-trimethylbenzenesulfonohydrazide is Cc1cccc(N)c1S(=O)(=O)NN(C)C.
What is the InChIKey of 2-amino-N',N',6-trimethylbenzenesulfonohydrazide?
The InChIKey is IKNSNMLLUDVPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-5-4-6-8(10)9(7)15(13,14)11-12(2)3/h4-6,11H,10H2,1-3H3.
What are the key properties of 2-amino-N',N',6-trimethylbenzenesulfonohydrazide?
2-amino-N',N',6-trimethylbenzenesulfonohydrazide has a molecular weight of 229.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N',N',6-trimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83013451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).