6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide

C11H9F3N4O2S — CID 29044411

IUPAC6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C11H9F3N4O2S/c12-7-2-3-8(11(14)10(7)13)18-21(19,20)6-1-4-9(17-15)16-5-6/h1-5,18H,15H2,(H,16,17)
InChIKeyMYZKKIKTNUXYKU-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.59
Rot. Bonds4

About 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide

6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 29044411) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
PubChem CID29044411
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C11H9F3N4O2S/c12-7-2-3-8(11(14)10(7)13)18-21(19,20)6-1-4-9(17-15)16-5-6/h1-5,18H,15H2,(H,16,17)
InChIKeyMYZKKIKTNUXYKU-UHFFFAOYSA-N
XLogP1.59
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide (CID 29044411) is 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide is NNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The InChIKey is MYZKKIKTNUXYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-7-2-3-8(11(14)10(7)13)18-21(19,20)6-1-4-9(17-15)16-5-6/h1-5,18H,15H2,(H,16,17).
What are the key properties of 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide has a molecular weight of 318.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 29044411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).