N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide

C12H12F2N4O2S — CID 103586397

IUPACN-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(NN)nc2)cc1F
InChIInChI=1S/C12H12F2N4O2S/c1-7-4-10(14)11(5-9(7)13)18-21(19,20)8-2-3-12(17-15)16-6-8/h2-6,18H,15H2,1H3,(H,16,17)
InChIKeyYPVVWTRSNRWXIK-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.75
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide

N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 103586397) has the molecular formula C12H12F2N4O2S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
PubChem CID103586397
Molecular FormulaC12H12F2N4O2S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(NN)nc2)cc1F
InChIInChI=1S/C12H12F2N4O2S/c1-7-4-10(14)11(5-9(7)13)18-21(19,20)8-2-3-12(17-15)16-6-8/h2-6,18H,15H2,1H3,(H,16,17)
InChIKeyYPVVWTRSNRWXIK-UHFFFAOYSA-N
XLogP1.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.75
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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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
N-(2,6-difluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28974793
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 29044411
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 103587390
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 107642114
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
N-(4,6-dimethylpyrimidin-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 30055222
N-(3-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28969387
N-(4-bromo-2-chlorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 43347456
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide (CID 103586397) is N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide is Cc1cc(F)c(NS(=O)(=O)c2ccc(NN)nc2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is YPVVWTRSNRWXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S/c1-7-4-10(14)11(5-9(7)13)18-21(19,20)8-2-3-12(17-15)16-6-8/h2-6,18H,15H2,1H3,(H,16,17).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 314.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 103586397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).