4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide

C12H15N5O2S — CID 107327746

IUPAC4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H15N5O2S/c1-8-6-10(16-13)7-9(2)11(8)20(18,19)17-12-14-4-3-5-15-12/h3-7,16H,13H2,1-2H3,(H,14,15,17)
InChIKeyYTPAOMSNKZTHCT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds4

About 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 107327746) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID107327746
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C12H15N5O2S/c1-8-6-10(16-13)7-9(2)11(8)20(18,19)17-12-14-4-3-5-15-12/h3-7,16H,13H2,1-2H3,(H,14,15,17)
InChIKeyYTPAOMSNKZTHCT-UHFFFAOYSA-N
XLogP1.18
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 69387275
2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683576
4-hydrazinyl-2,6-dimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 107327748
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377
N-(2,3-dimethylbutyl)-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107328053
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-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
CID 107327911
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 107327746) is 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is YTPAOMSNKZTHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-6-10(16-13)7-9(2)11(8)20(18,19)17-12-14-4-3-5-15-12/h3-7,16H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 107327746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).