3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide

C9H14F3N5O2S — CID 102720651

IUPAC3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
SMILESNNc1cc(C(F)(F)F)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C9H14F3N5O2S/c10-9(11,12)6-4-7(16-8(5-6)17-13)15-2-1-3-20(14,18)19/h4-5H,1-3,13H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyGDAYCBZDFSRYBU-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.48
Rot. Bonds6

About 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide

3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide (PubChem CID 102720651) has the molecular formula C9H14F3N5O2S and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
PubChem CID102720651
Molecular FormulaC9H14F3N5O2S
Molecular Weight313.31 g/mol
Exact Mass313.08
IUPAC Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
SMILESNNc1cc(C(F)(F)F)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C9H14F3N5O2S/c10-9(11,12)6-4-7(16-8(5-6)17-13)15-2-1-3-20(14,18)19/h4-5H,1-3,13H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyGDAYCBZDFSRYBU-UHFFFAOYSA-N
XLogP0.48
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[5-(trifluoromethyl)pyridin-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59231340
(E)-3,3,3-Trifluoro-N-[2-[(4-methyl-2-pyridyl)amino]ethyl]prop-1-ene-1-sulfonamide
CID 71811244
3,3,3-trifluoro-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]prop-1-ene-1-sulfonamide
CID 123255436
4-methyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylpropyl]pyridin-2-amine
CID 157420942
N-methyl-N-[6-(2-methylhydrazinyl)-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 166937009
[6-(4,4-Difluoropiperidin-1-yl)-4-methyl-2-pyridinyl]hydrazine
CID 169266240
(E)-2-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethenesulfonohydrazide
CID 8505620
2-[[3-(Trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 43552414
2-[[5-(Trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 43552424
3-[[5-(Trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-4-sulfonohydrazide
CID 52988857
2-[(6-Fluoro-2-pyridinyl)amino]ethanesulfonamide
CID 61229375

Frequently Asked Questions

What is the IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide (CID 102720651) is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide is NNc1cc(C(F)(F)F)cc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The InChIKey is GDAYCBZDFSRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2S/c10-9(11,12)6-4-7(16-8(5-6)17-13)15-2-1-3-20(14,18)19/h4-5H,1-3,13H2,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 102720651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).