N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide

C11H10F2N4O2S — CID 61004703

IUPACN-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C11H10F2N4O2S/c12-9-2-1-7(5-10(9)13)17-20(18,19)8-3-4-15-11(6-8)16-14/h1-6,17H,14H2,(H,15,16)
InChIKeyQLYZPLNYWQRRDL-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.45
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide

N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 61004703) has the molecular formula C11H10F2N4O2S and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID61004703
Molecular FormulaC11H10F2N4O2S
Molecular Weight300.29 g/mol
Exact Mass300.05
IUPAC NameN-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C11H10F2N4O2S/c12-9-2-1-7(5-10(9)13)17-20(18,19)8-3-4-15-11(6-8)16-14/h1-6,17H,14H2,(H,15,16)
InChIKeyQLYZPLNYWQRRDL-UHFFFAOYSA-N
XLogP1.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide (CID 61004703) is N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide is NNc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is QLYZPLNYWQRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2S/c12-9-2-1-7(5-10(9)13)17-20(18,19)8-3-4-15-11(6-8)16-14/h1-6,17H,14H2,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide?
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 300.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 61004703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).