N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

C9H13F3N4O2S — CID 166937009

IUPACN-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCNNc1nc(N(C)S(C)(=O)=O)ccc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O2S/c1-13-15-8-6(9(10,11)12)4-5-7(14-8)16(2)19(3,17)18/h4-5,13H,1-3H3,(H,14,15)
InChIKeyBNNICEVTHMMCBU-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (PubChem CID 166937009) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
PubChem CID166937009
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCNNc1nc(N(C)S(C)(=O)=O)ccc1C(F)(F)F
InChIInChI=1S/C9H13F3N4O2S/c1-13-15-8-6(9(10,11)12)4-5-7(14-8)16(2)19(3,17)18/h4-5,13H,1-3H3,(H,14,15)
InChIKeyBNNICEVTHMMCBU-UHFFFAOYSA-N
XLogP1.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (CID 166937009) is N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is CNNc1nc(N(C)S(C)(=O)=O)ccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is BNNICEVTHMMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-13-15-8-6(9(10,11)12)4-5-7(14-8)16(2)19(3,17)18/h4-5,13H,1-3H3,(H,14,15).
What are the key properties of N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 166937009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).